2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-homoveratryl-methyl-ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3/c1-22(15-20(23)21-14-17-7-5-4-6-8-17)12-11-16-9-10-18(24-2)19(13-16)25-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)/p+1