[(3R)-3-[(2R,4S)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propyl]azanium

Systemtic Name: [(3R)-3-[(2R,4S)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propyl]azanium Openeye Name: [(3R)-3-[(2R,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propyl]ammonium CAS Name: [(3R)-3-[(2R,4S)-2-ethyl-2-methyl-4-oxanyl]-3-(4-methylphenyl)propyl]ammonium IUPAC Name: [(3R)-3-[(2R,4S)-2-ethyl-2-methyloxan-4-yl]-3-(4-methylphenyl)propyl]azanium Traditional Name: [(3R)-3-[(2R,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)C(CC[NH3+])C2=CC=C(C=C2)C)C

Isomeric SMILES

CC[C@@]1(C[C@H](CCO1)[C@@H](CC[NH3+])C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H29NO/c1-4-18(3)13-16(10-12-20-18)17(9-11-19)15-7-5-14(2)6-8-15/h5-8,16-17H,4,9-13,19H2,1-3H3/p+1/t16-,17-,18+/m0/s1