[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]-ethyl-ammonium CAS Name: [(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium Traditional Name: benzyl-ethyl-[(2R)-2-hydroxy-3-veratryloxy-propyl]ammonium Formula: C21H30NO4+ MolecularWeight: 360.4672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(COCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C[C@H](COCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C21H29NO4/c1-4-22(13-17-8-6-5-7-9-17)14-19(23)16-26-15-18-10-11-20(24-2)21(12-18)25-3/h5-12,19,23H,4,13-16H2,1-3H3/p+1/t19-/m1/s1