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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: 2-piperazin-1-ium-1-yl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(4-methylbenzyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C14H21N3O/c1-12-2-4-13(5-3-12)10-16-14(18)11-17-8-6-15-7-9-17/h2-5,15H,6-11H2,1H3,(H,16,18)/p+1