2-[(4R)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-[(4R)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-[(4R)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-[(4R)-2,2-dimethyl-4-phenyl-4-oxanyl]ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 2-[(4R)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl-vanillyl-ammonium Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH2+]CC2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@](CCO1)(CC[NH2+]CC2=CC(=C(C=C2)O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C23H31NO3/c1-22(2)17-23(12-14-27-22,19-7-5-4-6-8-19)11-13-24-16-18-9-10-20(25)21(15-18)26-3/h4-10,15,24-25H,11-14,16-17H2,1-3H3/p+1/t23-/m1/s1