2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29N3O4S/c1-26-12-10-16(11-13-26)25-23(28)18-6-4-5-7-21(18)31-15-22(27)24-17-8-9-19(29-2)20(14-17)30-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)(H,25,28)/p+1