methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]benzoate CAS Name: 4-[[(4-methyl-1-piperazin-4-iumyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]benzoate Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]benzoic acid methyl ester Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-16-7-9-17(10-8-16)15-13(18)11-3-5-12(6-4-11)14(19)20-2/h3-6H,7-10H2,1-2H3,(H,15,18)/p+1