(3-ethoxy-2-phenylmethoxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (3-ethoxy-2-phenylmethoxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: (2-benzyloxy-3-ethoxy-phenyl)methyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: (2-benzoxy-3-ethoxy-benzyl)-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C25H30NO3+ MolecularWeight: 392.5106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]C(C)C(C3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+][C@H](C)[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C25H29NO3/c1-3-28-23-16-10-15-22(25(23)29-18-20-11-6-4-7-12-20)17-26-19(2)24(27)21-13-8-5-9-14-21/h4-16,19,24,26-27H,3,17-18H2,1-2H3/p+1/t19-,24-/m1/s1