3-methylbutyl-[(4-sulfamoylphenyl)methyl]azanium

Systemtic Name: 3-methylbutyl-[(4-sulfamoylphenyl)methyl]azanium Openeye Name: isopentyl-[(4-sulfamoylphenyl)methyl]ammonium CAS Name: 3-methylbutyl-[(4-sulfamoylphenyl)methyl]ammonium IUPAC Name: 3-methylbutyl-[(4-sulfamoylphenyl)methyl]azanium Traditional Name: isoamyl-(4-sulfamoylbenzyl)ammonium Formula: C12H21N2O2S+ MolecularWeight: 257.37234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CC(C)CC[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H20N2O2S/c1-10(2)7-8-14-9-11-3-5-12(6-4-11)17(13,15)16/h3-6,10,14H,7-9H2,1-2H3,(H2,13,15,16)/p+1