9-ethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]carbazole sulfate

Systemtic Name: 9-ethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]carbazole sulfate Openeye Name: 9-ethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]carbazole sulfate CAS Name: 9-ethyl-3-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]carbazole sulfate IUPAC Name: 9-ethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]carbazole sulfate Traditional Name: 9-ethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]carbazole sulfate Formula: C54H54N4O4S MolecularWeight: 855.09596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C)C5=CC=CC=C51.CCN1C2=C(C=C(C=C2)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C)C5=CC=CC=C51.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)C.CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C27H27N2.H2O4S/c2*1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;1-5(2,3)4/h2*6-18H,5H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2