(3-methoxy-4-phenethyloxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-[(3-methoxy-4-phenethyloxy-phenyl)methyl]ammonium CAS Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium IUPAC Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium Traditional Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-(3-methoxy-4-phenethyloxy-benzyl)ammonium Formula: C25H30NO3+ MolecularWeight: 392.5106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H29NO3/c1-19(25(27)22-11-7-4-8-12-22)26-18-21-13-14-23(24(17-21)28-2)29-16-15-20-9-5-3-6-10-20/h3-14,17,19,25-27H,15-16,18H2,1-2H3/p+1/t19-,25-/m1/s1