1-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-(piperidin-1-ium-4-ylmethyl)urea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-(piperidin-1-ium-4-ylmethyl)urea Openeye Name: 1-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-(piperidin-1-ium-4-ylmethyl)urea CAS Name: 1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-piperidin-1-iumylmethyl)urea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(piperidin-1-ium-4-ylmethyl)urea Traditional Name: 1-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-(piperidin-1-ium-4-ylmethyl)urea Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)NCC2CC[NH2+]CC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)NCC2CC[NH2+]CC2

InChI

InChI=1S/C18H30N4O4S/c1-4-22(5-2)27(24,25)15-6-7-17(26-3)16(12-15)21-18(23)20-13-14-8-10-19-11-9-14/h6-7,12,14,19H,4-5,8-11,13H2,1-3H3,(H2,20,21,23)/p+1