N'-[4-[(6E)-2-[(E)-2-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1-ethyl-3,3-dimethyl-indol-2-ylidene)ethylidene]cyclohexen-1-yl]sulfanylphenyl]-N-(3-oxidanylpropyl)pentanediamide

Systemtic Name: N'-[4-[(6E)-2-[(E)-2-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1-ethyl-3,3-dimethyl-indol-2-ylidene)ethylidene]cyclohexen-1-yl]sulfanylphenyl]-N-(3-oxidanylpropyl)pentanediamide Openeye Name: N'-[4-[(6E)-6-[(2E)-2-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]-2-[(E)-2-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]cyclohexen-1-yl]sulfanylphenyl]-N-(3-hydroxypropyl)pentanediamide CAS Name: N'-[4-[[(6E)-2-[(E)-2-(1-ethyl-3,3-dimethyl-2-indol-1-iumyl)ethenyl]-6-[(2E)-2-(1-ethyl-3,3-dimethyl-2-indolylidene)ethylidene]-1-cyclohexenyl]thio]phenyl]-N-(3-hydroxypropyl)pentanediamide IUPAC Name: N'-[4-[(6E)-2-[(E)-2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]sulfanylphenyl]-N-(3-hydroxypropyl)pentanediamide Traditional Name: N'-[4-[[(6E)-6-[(2E)-2-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]-2-[(E)-2-(1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]cyclohexen-1-yl]thio]phenyl]-N-(3-hydroxypropyl)glutaramide Formula: C48H59N4O3S+ MolecularWeight: 772.07206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(C1=CC=C3CCCC(=C3SC4=CC=C(C=C4)NC(=O)CCCC(=O)NCCCO)C=CC5=[N+](C6=CC=CC=C6C5(C)C)CC)(C)C

Isomeric SMILES

CCN\1C2=CC=CC=C2C(/C1=C\C=C\3/CCCC(=C3SC4=CC=C(C=C4)NC(=O)CCCC(=O)NCCCO)/C=C/C5=[N+](C6=CC=CC=C6C5(C)C)CC)(C)C

InChI

InChI=1S/C48H58N4O3S/c1-7-51-40-20-11-9-18-38(40)47(3,4)42(51)30-24-34-16-13-17-35(25-31-43-48(5,6)39-19-10-12-21-41(39)52(43)8-2)46(34)56-37-28-26-36(27-29-37)50-45(55)23-14-22-44(54)49-32-15-33-53/h9-12,18-21,24-31,53H,7-8,13-17,22-23,32-33H2,1-6H3,(H-,49,50,54,55)/p+1