2-(3,4-dimethoxyphenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S,2S)-2-methoxycyclohexyl]azanium Traditional Name: homoveratryl-[(1S,2S)-2-methoxycyclohexyl]ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CO[C@H]1CCCC[C@@H]1[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H27NO3/c1-19-15-7-5-4-6-14(15)18-11-10-13-8-9-16(20-2)17(12-13)21-3/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3/p+1/t14-,15-/m0/s1