methyl 3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-amino-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-amino-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-amino-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)12-4-3-10(9-11(12)14)13(17)18-2/h3-4,9H,5-8,14H2,1-2H3/p+1