[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium

Systemtic Name: [1-(3,4-dimethoxyphenyl)cyclohexyl]methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: [1-(3,4-dimethoxyphenyl)cyclohexyl]methyl-[(2R)-2-hydroxy-3-phenoxy-propyl]ammonium CAS Name: [1-(3,4-dimethoxyphenyl)cyclohexyl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]ammonium IUPAC Name: [1-(3,4-dimethoxyphenyl)cyclohexyl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium Traditional Name: [1-(3,4-dimethoxyphenyl)cyclohexyl]methyl-[(2R)-2-hydroxy-3-phenoxy-propyl]ammonium Formula: C24H34NO4+ MolecularWeight: 400.53106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCCC2)C[NH2+]CC(COC3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCCC2)C[NH2+]C[C@H](COC3=CC=CC=C3)O)OC

InChI

InChI=1S/C24H33NO4/c1-27-22-12-11-19(15-23(22)28-2)24(13-7-4-8-14-24)18-25-16-20(26)17-29-21-9-5-3-6-10-21/h3,5-6,9-12,15,20,25-26H,4,7-8,13-14,16-18H2,1-2H3/p+1/t20-/m1/s1