2-cyanoethyl-[4-(hydroxymethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-(pyridin-3-ylmethyl)azanium

Systemtic Name: 2-cyanoethyl-[4-(hydroxymethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-cyanoethyl-[4-(hydroxymethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-(3-pyridylmethyl)ammonium CAS Name: 2-cyanoethyl-[4-(hydroxymethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-cyanoethyl-[4-(hydroxymethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-cyanoethyl-(2,5-dimethyl-4-methylol-3-pyrazolin-3-ylidene)-(3-pyridylmethyl)ammonium Formula: C15H20N5O+ MolecularWeight: 286.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](CCC#N)CC2=CN=CC=C2)N(N1)C)CO

Isomeric SMILES

CC1=C(C(=[N+](CCC#N)CC2=CN=CC=C2)N(N1)C)CO

InChI

InChI=1S/C15H19N5O/c1-12-14(11-21)15(19(2)18-12)20(8-4-6-16)10-13-5-3-7-17-9-13/h3,5,7,9,21H,4,8,10-11H2,1-2H3/p+1