methyl-(3-methylbutyl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]azanium

Systemtic Name: methyl-(3-methylbutyl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidyl]ammonium CAS Name: methyl-(3-methylbutyl)-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: isoamyl-methyl-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidyl]ammonium Formula: C21H37N2O2S+ MolecularWeight: 381.59568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)[NH+](C)CCC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)[NH+](C)CCC(C)C)C)C

InChI

InChI=1S/C21H36N2O2S/c1-15(2)8-11-22(7)20-9-12-23(13-10-20)26(24,25)21-18(5)16(3)14-17(4)19(21)6/h14-15,20H,8-13H2,1-7H3/p+1