methyl 3-azanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 3-azanyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-amino-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate CAS Name: 3-amino-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-amino-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-24-19(23)16-8-5-9-18(20)17(16)14-21-10-12-22(13-11-21)15-6-3-2-4-7-15/h2-9H,10-14,20H2,1H3/p+1