methyl 2-[(4-cyclohexylpiperazin-4-ium-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(4-cyclohexylpiperazin-4-ium-1-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(4-cyclohexylpiperazin-4-ium-1-carbonyl)amino]benzoate CAS Name: 2-[[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-cyclohexylpiperazin-4-ium-1-carbonyl)amino]benzoate Traditional Name: 2-[(4-cyclohexylpiperazin-4-ium-1-carbonyl)amino]benzoic acid methyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C19H27N3O3/c1-25-18(23)16-9-5-6-10-17(16)20-19(24)22-13-11-21(12-14-22)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,24)/p+1