methyl 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-23-19(22)17-9-7-16(8-10-17)15-20-11-13-21(14-12-20)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/p+1