[3-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]phenyl]methylazanium

Systemtic Name: [3-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]phenyl]methylazanium Openeye Name: [3-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]phenyl]methylammonium CAS Name: [3-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]methylammonium IUPAC Name: [3-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]methylazanium Traditional Name: [3-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]benzyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC2=CC=CC(=C2)C[NH3+])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC2=CC=CC(=C2)C[NH3+])C(C)C

InChI

InChI=1S/C18H29NO/c1-13(2)17-8-7-14(3)9-18(17)20-12-16-6-4-5-15(10-16)11-19/h4-6,10,13-14,17-18H,7-9,11-12,19H2,1-3H3/p+1/t14-,17+,18-/m0/s1