[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-propan-2-yl-azanium

Systemtic Name: [3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-propan-2-yl-azanium Openeye Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-isopropyl-ammonium CAS Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-propan-2-ylammonium IUPAC Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-propan-2-ylazanium Traditional Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-benzyl]-isopropyl-ammonium Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC#N)OC

Isomeric SMILES

CC(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC#N)OC

InChI

InChI=1S/C13H17BrN2O2/c1-9(2)16-8-10-6-11(14)13(18-5-4-15)12(7-10)17-3/h6-7,9,16H,5,8H2,1-3H3/p+1