methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamoylamino]benzoate

Systemtic Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamoylamino]benzoate Openeye Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamoylamino]benzoate CAS Name: 2-[[[(4-methyl-1-piperazin-4-iumyl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperazin-4-ium-1-yl)carbamoylamino]benzoate Traditional Name: 2-[(4-methylpiperazin-4-ium-1-yl)carbamoylamino]benzoic acid methyl ester Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C14H20N4O3/c1-17-7-9-18(10-8-17)16-14(20)15-12-6-4-3-5-11(12)13(19)21-2/h3-6H,7-10H2,1-2H3,(H2,15,16,20)/p+1