2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3,5,5-trimethylhexyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3,5,5-trimethylhexyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3,5,5-trimethylhexyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3,5,5-trimethylhexyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3,5,5-trimethylhexyl]azanium Traditional Name: homoveratryl-[(3S)-3,5,5-trimethylhexyl]ammonium Formula: C19H34NO2+ MolecularWeight: 308.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH2+]CCC1=CC(=C(C=C1)OC)OC)CC(C)(C)C

Isomeric SMILES

C[C@H](CC[NH2+]CCC1=CC(=C(C=C1)OC)OC)CC(C)(C)C

InChI

InChI=1S/C19H33NO2/c1-15(14-19(2,3)4)9-11-20-12-10-16-7-8-17(21-5)18(13-16)22-6/h7-8,13,15,20H,9-12,14H2,1-6H3/p+1/t15-/m1/s1