[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl ethanoate

Systemtic Name: [4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl ethanoate Openeye Name: [4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl acetate CAS Name: acetic acid [4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl ester IUPAC Name: [4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl acetate Traditional Name: acetic acid [4-(4-benzylpiperazin-4-ium-1-carbonyl)benzyl] ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-17(24)26-16-19-7-9-20(10-8-19)21(25)23-13-11-22(12-14-23)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1