N-(2-ethyl-6-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C20H27N3OS/c1-3-18-6-4-5-16(2)20(18)21-19(24)14-23-10-8-22(9-11-23)13-17-7-12-25-15-17/h4-7,12,15H,3,8-11,13-14H2,1-2H3,(H,21,24)/p+1