methyl N-[(3-cyanophenyl)methyl]-N-[5-methyl-1-(2-methylpropyl)pyrazol-1-ium-1-yl]carbamate

Systemtic Name: methyl N-[(3-cyanophenyl)methyl]-N-[5-methyl-1-(2-methylpropyl)pyrazol-1-ium-1-yl]carbamate Openeye Name: methyl N-[(3-cyanophenyl)methyl]-N-(1-isobutyl-5-methyl-pyrazol-1-ium-1-yl)carbamate CAS Name: N-[(3-cyanophenyl)methyl]-N-[5-methyl-1-(2-methylpropyl)-1-pyrazol-1-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[(3-cyanophenyl)methyl]-N-[5-methyl-1-(2-methylpropyl)pyrazol-1-ium-1-yl]carbamate Traditional Name: N-(3-cyanobenzyl)-N-(1-isobutyl-5-methyl-pyrazol-1-ium-1-yl)carbamic acid methyl ester Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N4O2/c1-14(2)13-22(15(3)8-9-20-22)21(18(23)24-4)12-17-7-5-6-16(10-17)11-19/h5-10,14H,12-13H2,1-4H3/q+1