N-(3-methylphenyl)-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-benzyl-N-(m-tolyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-methylphenyl)-N-(phenylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-benzyl-N-(m-tolyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O/c1-20-7-5-10-22(17-20)29(18-21-8-3-2-4-9-21)23(30)19-27-13-15-28(16-14-27)24-25-11-6-12-26-24/h2-12,17H,13-16,18-19H2,1H3/p+1