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

Systemtic Name: (2-chloranyl-5-ethoxy-4-propan-2-yloxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-chloro-5-ethoxy-4-isopropoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-chloro-5-ethoxy-4-isopropoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C16H27ClNO3+ MolecularWeight: 316.84348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C=C1Cl)OC(C)C)OCC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1Cl)OC(C)C)OCC

InChI

InChI=1S/C16H26ClNO3/c1-5-13(10-19)18-9-12-7-15(20-6-2)16(8-14(12)17)21-11(3)4/h7-8,11,13,18-19H,5-6,9-10H2,1-4H3/p+1/t13-/m1/s1