[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium

Systemtic Name: [4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: [4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl-[(2R)-2-hydroxy-3-phenoxy-propyl]ammonium CAS Name: [4-(3,4-dimethoxyphenyl)-4-oxanyl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]ammonium IUPAC Name: [4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium Traditional Name: [4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methyl-[(2R)-2-hydroxy-3-phenoxy-propyl]ammonium Formula: C23H32NO5+ MolecularWeight: 402.50388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCOCC2)C[NH2+]CC(COC3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCOCC2)C[NH2+]C[C@H](COC3=CC=CC=C3)O)OC

InChI

InChI=1S/C23H31NO5/c1-26-21-9-8-18(14-22(21)27-2)23(10-12-28-13-11-23)17-24-15-19(25)16-29-20-6-4-3-5-7-20/h3-9,14,19,24-25H,10-13,15-17H2,1-2H3/p+1/t19-/m1/s1