N-cyclopropyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C21H26N4O2S/c26-20(14-25-10-8-24(9-11-25)13-16-7-12-28-15-16)23-19-4-2-1-3-18(19)21(27)22-17-5-6-17/h1-4,7,12,15,17H,5-6,8-11,13-14H2,(H,22,27)(H,23,26)/p+1