[(1S)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: [(1S)-1-(3-methoxy-4-oxidanyl-phenyl)ethyl]-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1,5-dimethylhexyl]-[(1S)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]ammonium CAS Name: [(1S)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: [(1S)-1-(4-hydroxy-3-methoxyphenyl)ethyl]-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1,5-dimethylhexyl]-[(1S)-1-(4-hydroxy-3-methoxy-phenyl)ethyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]C(C)C1=CC(=C(C=C1)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-12(2)7-6-8-13(3)18-14(4)15-9-10-16(19)17(11-15)20-5/h9-14,18-19H,6-8H2,1-5H3/p+1/t13-,14+/m1/s1