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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolylmethyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H26N4O/c1-17-5-7-18(8-6-17)14-22-20(25)16-24-12-10-23(11-13-24)15-19-4-2-3-9-21-19/h2-9H,10-16H2,1H3,(H,22,25)/p+1