N-[(2E)-2-[(2E)-2-[3-[(E)-2-(5-acetamido-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]-2-chloranyl-cyclohex-2-en-1-ylidene]ethylidene]-1-ethyl-3,3-dimethyl-indol-5-yl]ethanamide

Systemtic Name: N-[(2E)-2-[(2E)-2-[3-[(E)-2-(5-acetamido-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)ethenyl]-2-chloranyl-cyclohex-2-en-1-ylidene]ethylidene]-1-ethyl-3,3-dimethyl-indol-5-yl]ethanamide Openeye Name: N-[(2E)-2-[(2E)-2-[3-[(E)-2-(5-acetamido-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]-2-chloro-cyclohex-2-en-1-ylidene]ethylidene]-1-ethyl-3,3-dimethyl-indolin-5-yl]acetamide CAS Name: N-[(2E)-2-[(2E)-2-[3-[(E)-2-(5-acetamido-1-ethyl-3,3-dimethyl-2-indol-1-iumyl)ethenyl]-2-chloro-1-cyclohex-2-enylidene]ethylidene]-1-ethyl-3,3-dimethyl-5-indolyl]acetamide IUPAC Name: N-[(2E)-2-[(2E)-2-[3-[(E)-2-(5-acetamido-1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1-ethyl-3,3-dimethylindol-5-yl]acetamide Traditional Name: N-[(2E)-2-[(2E)-2-[3-[(E)-2-(5-acetamido-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl)vinyl]-2-chloro-cyclohex-2-en-1-ylidene]ethylidene]-1-ethyl-3,3-dimethyl-indolin-5-yl]acetamide Formula: C38H46ClN4O2+ MolecularWeight: 626.25044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C)C(C1=CC=C3CCCC(=C3Cl)C=CC4=[N+](C5=C(C4(C)C)C=C(C=C5)NC(=O)C)CC)(C)C

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)NC(=O)C)C(/C1=C\C=C\3/CCCC(=C3Cl)/C=C/C4=[N+](C5=C(C4(C)C)C=C(C=C5)NC(=O)C)CC)(C)C

InChI

InChI=1S/C38H45ClN4O2/c1-9-42-32-18-16-28(40-24(3)44)22-30(32)37(5,6)34(42)20-14-26-12-11-13-27(36(26)39)15-21-35-38(7,8)31-23-29(41-25(4)45)17-19-33(31)43(35)10-2/h14-23H,9-13H2,1-8H3,(H-,40,41,44,45)/p+1