methyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)sulfamoyl]benzoate

Systemtic Name: methyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Openeye Name: methyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)sulfamoyl]benzoate CAS Name: 4-[(1-cyclopropyl-4-piperidin-1-iumyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-cyclopropylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Traditional Name: 4-[(1-cyclopropylpiperidin-1-ium-4-yl)sulfamoyl]benzoic acid methyl ester Formula: C16H23N2O4S+ MolecularWeight: 339.42982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)C3CC3

InChI

InChI=1S/C16H22N2O4S/c1-22-16(19)12-2-6-15(7-3-12)23(20,21)17-13-8-10-18(11-9-13)14-4-5-14/h2-3,6-7,13-14,17H,4-5,8-11H2,1H3/p+1