N-cyclopropyl-2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C21H28N4O2S+2 MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

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