[3-chloranyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [3-chloro-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [3-chloro-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [3-chloro-5-methoxy-4-(3-pyridylmethoxy)benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C18H24ClN2O3+ MolecularWeight: 351.84776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O3/c1-3-15(11-22)21-10-14-7-16(19)18(17(8-14)23-2)24-12-13-5-4-6-20-9-13/h4-9,15,21-22H,3,10-12H2,1-2H3/p+1/t15-/m1/s1