(3-chloranyl-4,5-diethoxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (3-chloranyl-4,5-diethoxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: (3-chloro-4,5-diethoxy-phenyl)methyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: (3-chloro-4,5-diethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: (3-chloro-4,5-diethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: (3-chloro-4,5-diethoxy-benzyl)-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C20H27ClNO3+ MolecularWeight: 364.88628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C(C2=CC=CC=C2)O)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+][C@H](C)[C@H](C2=CC=CC=C2)O)Cl)OCC

InChI

InChI=1S/C20H26ClNO3/c1-4-24-18-12-15(11-17(21)20(18)25-5-2)13-22-14(3)19(23)16-9-7-6-8-10-16/h6-12,14,19,22-23H,4-5,13H2,1-3H3/p+1/t14-,19-/m1/s1