2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-homoveratryl-ammonium Formula: C21H30NO4+ MolecularWeight: 360.4672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH2+]CCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C[NH2+]CCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C21H29NO4/c1-15-6-5-7-16(2)21(15)26-14-18(23)13-22-11-10-17-8-9-19(24-3)20(12-17)25-4/h5-9,12,18,22-23H,10-11,13-14H2,1-4H3/p+1/t18-/m0/s1