N-methyl-4-[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-methyl-4-[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C19H24N4O2S/c1-20-19(25)15-4-6-16(7-5-15)21-18(24)14-23-10-8-22(9-11-23)13-17-3-2-12-26-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,25)(H,21,24)/p+1