N-[(3-cyanophenyl)methyl]-N-[3-methyl-1-(2-methylpropyl)pyrazol-1-ium-1-yl]carbamate

Systemtic Name: N-[(3-cyanophenyl)methyl]-N-[3-methyl-1-(2-methylpropyl)pyrazol-1-ium-1-yl]carbamate Openeye Name: N-[(3-cyanophenyl)methyl]-N-(1-isobutyl-3-methyl-pyrazol-1-ium-1-yl)carbamate CAS Name: N-[(3-cyanophenyl)methyl]-N-[3-methyl-1-(2-methylpropyl)-1-pyrazol-1-iumyl]carbamate IUPAC Name: N-[(3-cyanophenyl)methyl]-N-[3-methyl-1-(2-methylpropyl)pyrazol-1-ium-1-yl]carbamate Traditional Name: N-(3-cyanobenzyl)-N-(1-isobutyl-3-methyl-pyrazol-1-ium-1-yl)carbamate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C=C1)(CC(C)C)N(CC2=CC=CC(=C2)C#N)C(=O)[O-]

Isomeric SMILES

CC1=N[N+](C=C1)(CC(C)C)N(CC2=CC=CC(=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C17H20N4O2/c1-13(2)12-21(8-7-14(3)19-21)20(17(22)23)11-16-6-4-5-15(9-16)10-18/h4-9,13H,11-12H2,1-3H3