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

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)N)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)N)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c21-16-5-3-4-15(12-16)13-24-8-10-25(11-9-24)14-19(26)23-18-7-2-1-6-17(18)20(22)27/h1-7,12H,8-11,13-14H2,(H2,22,27)(H,23,26)/p+1