3-chloranyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-chlorobenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-chloro-benzamide Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O2/c21-18-8-4-7-17(13-18)20(26)22-14-19(25)24-11-9-23(10-12-24)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,26)/p+1