methyl 4-[[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxidanylidene-propyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxidanylidene-propyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[3-(5,6-dimethoxybenzothiophen-2-yl)-3-oxo-propyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxopropyl]-1-pyridin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-(5,6-dimethoxy-1-benzothiophen-2-yl)-3-oxopropyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(5,6-dimethoxybenzothiophen-2-yl)-3-keto-propyl]pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C27H26NO5S+ MolecularWeight: 476.56404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H26NO5S/c1-31-23-14-21-15-26(34-25(21)16-24(23)32-2)22(29)9-6-18-10-12-28(13-11-18)17-19-4-7-20(8-5-19)27(30)33-3/h4-5,7-8,10-16H,6,9,17H2,1-3H3/q+1