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

Systemtic Name: 4-chloranyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-chloro-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-chloro-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 4-chloro-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-chloro-N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-16-3-2-4-17(13-16)15-24-9-11-25(12-10-24)20(26)14-23-21(27)18-5-7-19(22)8-6-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)/p+1