3-acetamido-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-(p-tolylthio)benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C23H29N3O2S/c1-4-26-13-5-6-19(26)15-24-23(28)18-9-12-22(21(14-18)25-17(3)27)29-20-10-7-16(2)8-11-20/h7-12,14,19H,4-6,13,15H2,1-3H3,(H,24,28)(H,25,27)/p+1