methyl-(3-methylbutyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azanium

Systemtic Name: methyl-(3-methylbutyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-(p-tolylsulfonyl)-4-piperidyl]ammonium CAS Name: methyl-(3-methylbutyl)-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: isoamyl-methyl-(1-tosyl-4-piperidyl)ammonium Formula: C18H31N2O2S+ MolecularWeight: 339.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+](C)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+](C)CCC(C)C

InChI

InChI=1S/C18H30N2O2S/c1-15(2)9-12-19(4)17-10-13-20(14-11-17)23(21,22)18-7-5-16(3)6-8-18/h5-8,15,17H,9-14H2,1-4H3/p+1