ethyl 4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]sulfamoyl]benzoate Openeye Name: ethyl 4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]benzoate CAS Name: 4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]benzoate Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]benzoic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-2-27-21(24)18-8-10-20(11-9-18)28(25,26)22-19-12-14-23(15-13-19)16-17-6-4-3-5-7-17/h3-11,19,22H,2,12-16H2,1H3/p+1