methyl 2-oxidanyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 2-hydroxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 2-hydroxy-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 2-hydroxy-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-24-19(23)17-13-15(7-8-18(17)22)14-20-9-11-21(12-10-20)16-5-3-2-4-6-16/h2-8,13,22H,9-12,14H2,1H3/p+1