3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-2-23-21(28)16-5-3-7-18(13-16)24-20(27)15-25-9-11-26(12-10-25)19-8-4-6-17(22)14-19/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,28)(H,24,27)/p+1