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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxidanylidene-3-[[(1R)-1-phenylethyl]amino]propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]azanium Traditional Name: homoveratryl-[3-keto-3-[[(1R)-1-phenylethyl]amino]propyl]-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-17(19-8-6-5-7-9-19)23-22(25)13-15-24(2)14-12-18-10-11-20(26-3)21(16-18)27-4/h5-11,16-17H,12-15H2,1-4H3,(H,23,25)/p+1/t17-/m1/s1