2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium Openeye Name: 2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl-[(4-isopropoxyphenyl)methyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-phenyl-4-oxanyl]ethyl-[(4-propan-2-yloxyphenyl)methyl]ammonium IUPAC Name: 2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium Traditional Name: 2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl-(4-isopropoxybenzyl)ammonium Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH2+]CCC2(CCOC(C2)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH2+]CC[C@@]2(CCOC(C2)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H35NO2/c1-20(2)28-23-12-10-21(11-13-23)18-26-16-14-25(22-8-6-5-7-9-22)15-17-27-24(3,4)19-25/h5-13,20,26H,14-19H2,1-4H3/p+1/t25-/m0/s1