4-methylbenzenesulfonate; methyl-[4-(2-methylphenyl)-3-phenyl-butyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-[4-(2-methylphenyl)-3-phenyl-butyl]azanium Openeye Name: 4-methylbenzenesulfonate; methyl-[4-(o-tolyl)-3-phenyl-butyl]ammonium CAS Name: 4-methylbenzenesulfonate; methyl-[4-(2-methylphenyl)-3-phenylbutyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; methyl-[4-(2-methylphenyl)-3-phenylbutyl]azanium Traditional Name: methyl-[4-(o-tolyl)-3-phenyl-butyl]ammonium tosylate Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=C1CC(CC[NH2+]C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC=C1CC(CC[NH2+]C)C2=CC=CC=C2

InChI

InChI=1S/C18H23N.C7H8O3S/c1-15-8-6-7-11-17(15)14-18(12-13-19-2)16-9-4-3-5-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-11,18-19H,12-14H2,1-2H3;2-5H,1H3,(H,8,9,10)