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

Systemtic Name: benzenesulfonic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine Openeye Name: benzenesulfonic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine CAS Name: benzenesulfonic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-2-pyrrolidinimine IUPAC Name: benzenesulfonic acid; N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine Traditional Name: besylic acid; homoveratryl-(1-methylpyrrolidin-2-ylidene)amine Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2.C6H6O3S/c1-17-10-4-5-15(17)16-9-8-12-6-7-13(18-2)14(11-12)19-3;7-10(8,9)6-4-2-1-3-5-6/h6-7,11H,4-5,8-10H2,1-3H3;1-5H,(H,7,8,9)