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

Systemtic Name: methyl-(3-methylbutyl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]ammonium CAS Name: methyl-(3-methylbutyl)-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: isoamyl-(1-mesitylsulfonyl-4-piperidyl)-methyl-ammonium Formula: C20H35N2O2S+ MolecularWeight: 367.5691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O2S/c1-15(2)7-10-21(6)19-8-11-22(12-9-19)25(23,24)20-17(4)13-16(3)14-18(20)5/h13-15,19H,7-12H2,1-6H3/p+1