azanyl 2-[1-[4-(2-cyanophenyl)phenyl]butan-2-yl]-1-ethyl-2-methyl-3H-pyrazol-2-ium-4-carboxylate

Systemtic Name: azanyl 2-[1-[4-(2-cyanophenyl)phenyl]butan-2-yl]-1-ethyl-2-methyl-3H-pyrazol-2-ium-4-carboxylate Openeye Name: amino 2-[1-[[4-(2-cyanophenyl)phenyl]methyl]propyl]-1-ethyl-2-methyl-3H-pyrazol-2-ium-4-carboxylate CAS Name: 2-[1-[4-(2-cyanophenyl)phenyl]butan-2-yl]-1-ethyl-2-methyl-3H-pyrazol-2-ium-4-carboxylic acid amino ester IUPAC Name: amino 2-[1-[4-(2-cyanophenyl)phenyl]butan-2-yl]-1-ethyl-2-methyl-3H-pyrazol-2-ium-4-carboxylate Traditional Name: 1-[1-[4-(2-cyanophenyl)benzyl]propyl]-2-ethyl-1-methyl-3-pyrazolin-1-ium-4-carboxylic acid amino ester Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)[N+]3(CC(=CN3CC)C(=O)ON)C

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)[N+]3(CC(=CN3CC)C(=O)ON)C

InChI

InChI=1S/C24H29N4O2/c1-4-22(28(3)17-21(24(29)30-26)16-27(28)5-2)14-18-10-12-19(13-11-18)23-9-7-6-8-20(23)15-25/h6-13,16,22H,4-5,14,17,26H2,1-3H3/q+1