(3,4-dimethoxyphenyl)methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yl-oxan-4-yl]ethyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yl-oxan-4-yl]ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-[(2R,4R)-2-isopropyl-4-phenyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yl-4-oxanyl]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium Traditional Name: 2-[(2R,4R)-2-isopropyl-4-phenyl-tetrahydropyran-4-yl]ethyl-veratryl-ammonium Formula: C25H36NO3+ MolecularWeight: 398.55824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCO1)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]1C[C@](CCO1)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H35NO3/c1-19(2)24-17-25(13-15-29-24,21-8-6-5-7-9-21)12-14-26-18-20-10-11-22(27-3)23(16-20)28-4/h5-11,16,19,24,26H,12-15,17-18H2,1-4H3/p+1/t24-,25-/m1/s1