5-(1-hexylazepan-1-ium-1-yl)-2-[[6-phenylmethoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]carbonyl]cyclohexa-2,4-dien-1-one

Systemtic Name: 5-(1-hexylazepan-1-ium-1-yl)-2-[[6-phenylmethoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]carbonyl]cyclohexa-2,4-dien-1-one Openeye Name: 2-[6-benzyloxy-2-(4-isopropoxyphenyl)benzothiophene-3-carbonyl]-5-(1-hexylazepan-1-ium-1-yl)cyclohexa-2,4-dien-1-one CAS Name: 5-(1-hexyl-1-azepan-1-iumyl)-2-[oxo-[6-phenylmethoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophen-3-yl]methyl]-1-cyclohexa-2,4-dienone IUPAC Name: 5-(1-hexylazepan-1-ium-1-yl)-2-[6-phenylmethoxy-2-(4-propan-2-yloxyphenyl)-1-benzothiophene-3-carbonyl]cyclohexa-2,4-dien-1-one Traditional Name: 2-[6-benzoxy-2-(4-isopropoxyphenyl)benzothiophene-3-carbonyl]-5-(1-hexylazepan-1-ium-1-yl)cyclohexa-2,4-dien-1-one Formula: C43H50NO4S+ MolecularWeight: 676.9264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCCCCC1)C2=CC=C(C(=O)C2)C(=O)C3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OC(C)C

Isomeric SMILES

CCCCCC[N+]1(CCCCCC1)C2=CC=C(C(=O)C2)C(=O)C3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OC(C)C

InChI

InChI=1S/C43H50NO4S/c1-4-5-6-12-25-44(26-13-7-8-14-27-44)34-19-23-37(39(45)28-34)42(46)41-38-24-22-36(47-30-32-15-10-9-11-16-32)29-40(38)49-43(41)33-17-20-35(21-18-33)48-31(2)3/h9-11,15-24,29,31H,4-8,12-14,25-28,30H2,1-3H3/q+1