2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Traditional Name: homoveratryl-[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-16(18-8-6-5-7-9-18)22-21(24)15-23(2)13-12-17-10-11-19(25-3)20(14-17)26-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,22,24)/p+1/t16-/m0/s1