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

Systemtic Name: 3-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]-6-(1-methylazepan-1-ium-1-yl)cyclohexa-2,4-dien-1-one Openeye Name: 3-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]-6-(1-methylazepan-1-ium-1-yl)cyclohexa-2,4-dien-1-one CAS Name: 3-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]-6-(1-methyl-1-azepan-1-iumyl)-1-cyclohexa-2,4-dienone IUPAC Name: 3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]-6-(1-methylazepan-1-ium-1-yl)cyclohexa-2,4-dien-1-one Traditional Name: 3-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]-6-(1-methylazepan-1-ium-1-yl)cyclohexa-2,4-dien-1-one Formula: C30H32NO4S+ MolecularWeight: 502.64438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[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/C30H32NO4S/c1-31(16-6-4-5-7-17-31)25-15-10-21(18-26(25)32)29(33)28-24-14-13-23(35-3)19-27(24)36-30(28)20-8-11-22(34-2)12-9-20/h8-15,18-19,25H,4-7,16-17H2,1-3H3/q+1