[(1S,3S)-3-methylcyclohexyl]-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: [(1S,3S)-3-methylcyclohexyl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [(1S,3S)-3-methylcyclohexyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [(1S,3S)-3-methylcyclohexyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: [(1S,3S)-3-methylcyclohexyl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [(1S,3S)-3-methylcyclohexyl]-(3,4,5-trimethoxybenzyl)ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH2+]CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH2+]CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C17H27NO3/c1-12-6-5-7-14(8-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3/h9-10,12,14,18H,5-8,11H2,1-4H3/p+1/t12-,14-/m0/s1