N-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-yl-benzamide Openeye Name: 2-piperazin-4-ium-1-yl-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(4-methylbenzyl)-2-piperazin-4-ium-1-yl-benzamide Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N3CC[NH2+]CC3

InChI

InChI=1S/C19H23N3O/c1-15-6-8-16(9-7-15)14-21-19(23)17-4-2-3-5-18(17)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3,(H,21,23)/p+1