[1-[(5-cyano-2-methoxy-phenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazol-1-ium-4-yl]carbamic acid

Systemtic Name: [1-[(5-cyano-2-methoxy-phenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazol-1-ium-4-yl]carbamic acid Openeye Name: [1-[(5-cyano-2-methoxy-phenyl)methyl]-1-isobutyl-3,5-dimethyl-pyrazol-1-ium-4-yl]carbamic acid CAS Name: [1-[(5-cyano-2-methoxyphenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)-4-pyrazol-1-iumyl]carbamic acid IUPAC Name: [1-[(5-cyano-2-methoxyphenyl)methyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazol-1-ium-4-yl]carbamic acid Traditional Name: [1-(5-cyano-2-methoxy-benzyl)-1-isobutyl-3,5-dimethyl-pyrazol-1-ium-4-yl]carbamic acid Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=N[N+]1(CC2=C(C=CC(=C2)C#N)OC)CC(C)C)C)NC(=O)O

Isomeric SMILES

CC1=C(C(=N[N+]1(CC2=C(C=CC(=C2)C#N)OC)CC(C)C)C)NC(=O)O

InChI

InChI=1S/C19H24N4O3/c1-12(2)10-23(14(4)18(13(3)22-23)21-19(24)25)11-16-8-15(9-20)6-7-17(16)26-5/h6-8,12,21H,10-11H2,1-5H3/p+1