N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; 4-methylbenzenesulfonic acid CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2-pyrrolidinimine; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine; 4-methylbenzenesulfonic acid Traditional Name: homoveratryl-(1-methylpyrrolidin-2-ylidene)amine; tosylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCCC1=NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCCC1=NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H22N2O2.C7H8O3S/c1-17-10-4-5-15(17)16-9-8-12-6-7-13(18-2)14(11-12)19-3;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,11H,4-5,8-10H2,1-3H3;2-5H,1H3,(H,8,9,10)