(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C20H27ClNO3+ MolecularWeight: 364.88628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H26ClNO3/c1-3-17(13-23)22-12-16-10-18(21)20(19(11-16)24-4-2)25-14-15-8-6-5-7-9-15/h5-11,17,22-23H,3-4,12-14H2,1-2H3/p+1/t17-/m1/s1