N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(m-tolyl)-4-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(m-tolyl)-4-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c1-14-4-2-5-15(12-14)18-17(21)20-9-7-19(8-10-20)13-16-6-3-11-22-16/h2-6,11-12H,7-10,13H2,1H3,(H,18,21)/p+1