5-ethyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide

Systemtic Name: 5-ethyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Openeye Name: 5-ethyl-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide CAS Name: 5-ethyl-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]-2-thiophenecarboxamide IUPAC Name: 5-ethyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Traditional Name: 5-ethyl-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(S1)C(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H29N3OS/c1-3-19-8-9-20(26-19)21(25)22-10-5-11-23-12-14-24(15-13-23)18-7-4-6-17(2)16-18/h4,6-9,16H,3,5,10-15H2,1-2H3,(H,22,25)/p+1