6-(1-hexylazepan-1-ium-1-yl)-3-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(1-hexylazepan-1-ium-1-yl)-3-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-(1-hexylazepan-1-ium-1-yl)-3-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]cyclohexa-2,4-dien-1-one CAS Name: 6-(1-hexyl-1-azepan-1-iumyl)-3-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(1-hexylazepan-1-ium-1-yl)-3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-(1-hexylazepan-1-ium-1-yl)-3-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]cyclohexa-2,4-dien-1-one Formula: C35H42NO4S+ MolecularWeight: 572.77728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCCCCC1)C2C=CC(=CC2=O)C(=O)C3=C(SC4=C3C=CC(=C4)OC)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCCC[N+]1(CCCCCC1)C2C=CC(=CC2=O)C(=O)C3=C(SC4=C3C=CC(=C4)OC)C5=CC=C(C=C5)OC

InChI

InChI=1S/C35H42NO4S/c1-4-5-6-9-20-36(21-10-7-8-11-22-36)30-19-14-26(23-31(30)37)34(38)33-29-18-17-28(40-3)24-32(29)41-35(33)25-12-15-27(39-2)16-13-25/h12-19,23-24,30H,4-11,20-22H2,1-3H3/q+1