[(4S)-2,2-dimethyloxan-4-yl]-[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]-[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium Openeye Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(3R)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]-[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]ammonium IUPAC Name: [(4S)-2,2-dimethyloxan-4-yl]-[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium Traditional Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(3R)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]ammonium Formula: C22H38NO2+ MolecularWeight: 348.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]C1CCOC(C1)(C)C)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO2/c1-16(2)21(18-7-9-20(10-8-18)25-17(3)4)11-13-23-19-12-14-24-22(5,6)15-19/h7-10,16-17,19,21,23H,11-15H2,1-6H3/p+1/t19-,21+/m0/s1