[(4S)-2,2-dimethyloxan-4-yl]-[(R)-(4-methoxyphenyl)-phenyl-methyl]azanium

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]-[(R)-(4-methoxyphenyl)-phenyl-methyl]azanium Openeye Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(R)-(4-methoxyphenyl)-phenyl-methyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]-[(R)-(4-methoxyphenyl)-phenylmethyl]ammonium IUPAC Name: [(4S)-2,2-dimethyloxan-4-yl]-[(R)-(4-methoxyphenyl)-phenylmethyl]azanium Traditional Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(R)-(4-methoxyphenyl)-phenyl-methyl]ammonium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]C(C2=CC=CC=C2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(C[C@H](CCO1)[NH2+][C@H](C2=CC=CC=C2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H27NO2/c1-21(2)15-18(13-14-24-21)22-20(16-7-5-4-6-8-16)17-9-11-19(23-3)12-10-17/h4-12,18,20,22H,13-15H2,1-3H3/p+1/t18-,20+/m0/s1