(4Z)-4-(1,2-dimethylindol-1-ium-3-ylidene)-2-[2-methyl-1-(3-methylheptan-2-yl)indol-3-yl]-3-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: (4Z)-4-(1,2-dimethylindol-1-ium-3-ylidene)-2-[2-methyl-1-(3-methylheptan-2-yl)indol-3-yl]-3-oxidanyl-cyclobut-2-en-1-one Openeye Name: (4Z)-2-[1-(1,2-dimethylhexyl)-2-methyl-indol-3-yl]-4-(1,2-dimethylindol-1-ium-3-ylidene)-3-hydroxy-cyclobut-2-en-1-one CAS Name: (4Z)-4-(1,2-dimethyl-3-indol-1-iumylidene)-3-hydroxy-2-[2-methyl-1-(3-methylheptan-2-yl)-3-indolyl]-1-cyclobut-2-enone IUPAC Name: (4Z)-4-(1,2-dimethylindol-1-ium-3-ylidene)-3-hydroxy-2-[2-methyl-1-(3-methylheptan-2-yl)indol-3-yl]cyclobut-2-en-1-one Traditional Name: (4Z)-2-[1-(1,2-dimethylhexyl)-2-methyl-indol-3-yl]-4-(1,2-dimethylindol-1-ium-3-ylidene)-3-hydroxy-cyclobut-2-en-1-one Formula: C31H35N2O2+ MolecularWeight: 467.6218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C)N1C(=C(C2=CC=CC=C21)C3=C(C(=C4C(=[N+](C5=CC=CC=C54)C)C)C3=O)O)C

Isomeric SMILES

CCCCC(C)C(C)N1C(=C(C2=CC=CC=C21)C3=C(/C(=C\4/C(=[N+](C5=CC=CC=C54)C)C)/C3=O)O)C

InChI

InChI=1S/C31H34N2O2/c1-7-8-13-18(2)19(3)33-21(5)27(23-15-10-12-17-25(23)33)29-30(34)28(31(29)35)26-20(4)32(6)24-16-11-9-14-22(24)26/h9-12,14-19H,7-8,13H2,1-6H3/p+1