methyl 4-[[[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C19H26N4O4/c1-27-18(25)15-4-2-14(3-5-15)12-20-19(26)23-10-8-22(9-11-23)13-17(24)21-16-6-7-16/h2-5,16H,6-13H2,1H3,(H,20,26)(H,21,24)/p+1