2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium Traditional Name: homoveratryl-[(2S)-2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]ammonium Formula: C23H34NO4+ MolecularWeight: 388.52036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO4/c1-16(2)20-8-6-17(3)12-22(20)28-15-19(25)14-24-11-10-18-7-9-21(26-4)23(13-18)27-5/h6-9,12-13,16,19,24-25H,10-11,14-15H2,1-5H3/p+1/t19-/m0/s1