N-(4-methylphenyl)-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[3-(2-thienyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-(1-oxo-3-thiophen-2-ylpropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[3-(2-thienyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-16-4-6-17(7-5-16)21-19(24)15-22-10-12-23(13-11-22)20(25)9-8-18-3-2-14-26-18/h2-7,14H,8-13,15H2,1H3,(H,21,24)/p+1