[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-[(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-veratryl-ammonium Formula: C23H34NO4+ MolecularWeight: 388.52036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(C[NH2+]CC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](C[NH2+]CC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C23H33NO4/c1-16-11-18(23(2,3)4)8-10-20(16)28-15-19(25)14-24-13-17-7-9-21(26-5)22(12-17)27-6/h7-12,19,24-25H,13-15H2,1-6H3/p+1/t19-/m0/s1