1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-[(4-sulfamoylphenyl)methyl]urea

Systemtic Name: 1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-[(4-sulfamoylphenyl)methyl]urea Openeye Name: 1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-[(4-sulfamoylphenyl)methyl]urea CAS Name: 1-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-3-[(4-sulfamoylphenyl)methyl]urea IUPAC Name: 1-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea Traditional Name: 1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-sulfamoylbenzyl)urea Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCCCC2

Isomeric SMILES

CC(C)(CNC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCCCC2

InChI

InChI=1S/C17H28N4O3S/c1-17(2,21-10-4-3-5-11-21)13-20-16(22)19-12-14-6-8-15(9-7-14)25(18,23)24/h6-9H,3-5,10-13H2,1-2H3,(H2,18,23,24)(H2,19,20,22)/p+1