(1-methylpiperidin-1-ium-4-yl)-[(4-sulfamoylphenyl)methyl]azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: (1-methylpiperidin-1-ium-4-yl)-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: (1-methylpiperidin-1-ium-4-yl)-(4-sulfamoylbenzyl)ammonium Formula: C13H23N3O2S+2 MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H21N3O2S/c1-16-8-6-12(7-9-16)15-10-11-2-4-13(5-3-11)19(14,17)18/h2-5,12,15H,6-10H2,1H3,(H2,14,17,18)/p+2