1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Openeye Name: 3-phenyl-1-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 1-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]-3-phenyl-propan-1-one Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-18-7-9-20(10-8-18)17-22-13-15-23(16-14-22)21(24)12-11-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3/p+1