[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]azanium

Systemtic Name: [(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]azanium Openeye Name: [(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(4-methoxyphenyl)propyl]ammonium CAS Name: [(3S)-3-[(4R)-2,2-dimethyl-4-oxanyl]-3-(4-methoxyphenyl)propyl]ammonium IUPAC Name: [(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]azanium Traditional Name: [(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(4-methoxyphenyl)propyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC[NH3+])C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1(C[C@@H](CCO1)[C@H](CC[NH3+])C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C17H27NO2/c1-17(2)12-14(9-11-20-17)16(8-10-18)13-4-6-15(19-3)7-5-13/h4-7,14,16H,8-12,18H2,1-3H3/p+1/t14-,16-/m1/s1