2-[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C23H29ClN4O2+2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2/c24-18-5-3-4-17(14-18)15-27-10-12-28(13-11-27)16-22(29)26-21-7-2-1-6-20(21)23(30)25-19-8-9-19/h1-7,14,19H,8-13,15-16H2,(H,25,30)(H,26,29)/p+2