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

Systemtic Name: ethyl 4-[[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]carbamoylamino]benzoate CAS Name: 4-[[[[2-methyl-2-(4-methyl-1-piperazin-4-iumyl)propyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]carbamoylamino]benzoate Traditional Name: 4-[[2-methyl-2-(4-methylpiperazin-4-ium-1-yl)propyl]carbamoylamino]benzoic acid ethyl ester Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC(C)(C)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC(C)(C)N2CC[NH+](CC2)C

InChI

InChI=1S/C19H30N4O3/c1-5-26-17(24)15-6-8-16(9-7-15)21-18(25)20-14-19(2,3)23-12-10-22(4)11-13-23/h6-9H,5,10-14H2,1-4H3,(H2,20,21,25)/p+1