N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: N-[(4-isobutoxy-3-methoxy-phenyl)methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: (4-isobutoxy-3-methoxy-benzyl)-(2-methyl-1H-pyrazol-2-ium-3-yl)amine Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CNC2=[N+](NC=C2)C)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CNC2=[N+](NC=C2)C)OC

InChI

InChI=1S/C16H23N3O2/c1-12(2)11-21-14-6-5-13(9-15(14)20-4)10-17-16-7-8-18-19(16)3/h5-9,12H,10-11H2,1-4H3,(H,17,18)/p+1