4-methylbenzenesulfonate; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine

Systemtic Name: 4-methylbenzenesulfonate; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine Openeye Name: 4-methylbenzenesulfonate; N-methyl-3-(3-methyl-1-phenyl-indolin-3-yl)propan-1-amine CAS Name: 4-methylbenzenesulfonate; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)-1-propanamine IUPAC Name: 4-methylbenzenesulfonate; N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine Traditional Name: methyl-[3-(3-methyl-1-phenyl-indolin-3-yl)propyl]amine tosylate Formula: C26H31N2O3S- MolecularWeight: 451.60094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CN(C2=CC=CC=C21)C3=CC=CC=C3)CCCNC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CN(C2=CC=CC=C21)C3=CC=CC=C3)CCCNC

InChI

InChI=1S/C19H24N2.C7H8O3S/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9-12,20H,8,13-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1