4-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]piperazine-1-carboxamide Openeye Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-(3-methylphenyl)-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-methylphenyl)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide Traditional Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-(m-tolyl)piperazine-1-carboxamide Formula: C24H35N4OS+ MolecularWeight: 427.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)N2CCN(CC2)C3=CC=CC(=C3)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)N2CCN(CC2)C3=CC=CC(=C3)C)C4=CC=CS4

InChI

InChI=1S/C24H34N4OS/c1-19-8-10-27(11-9-19)22(23-7-4-16-30-23)18-25-24(29)28-14-12-26(13-15-28)21-6-3-5-20(2)17-21/h3-7,16-17,19,22H,8-15,18H2,1-2H3,(H,25,29)/p+1/t22-/m0/s1