methyl 5-azanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: methyl 5-azanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 5-amino-2-(4-benzylpiperazin-4-ium-1-yl)benzoate CAS Name: 5-amino-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 5-amino-2-(4-benzylpiperazin-4-ium-1-yl)benzoate Traditional Name: 5-amino-2-(4-benzylpiperazin-4-ium-1-yl)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)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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