(6E)-6-(2-butyl-4-propan-2-yl-2-pyridin-4-yl-1H-pyrazol-2-ium-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2-butyl-4-propan-2-yl-2-pyridin-4-yl-1H-pyrazol-2-ium-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-butyl-4-isopropyl-2-(4-pyridyl)-1H-pyrazol-2-ium-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(2-butyl-4-propan-2-yl-2-pyridin-4-yl-1H-pyrazol-2-ium-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-butyl-4-propan-2-yl-2-pyridin-4-yl-1H-pyrazol-2-ium-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-butyl-4-isopropyl-2-(4-pyridyl)-3-pyrazolin-2-ium-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=C2C=CC=CC2=O)C(=CN1)C(C)C)C3=CC=NC=C3

Isomeric SMILES

CCCC[N+]1(/C(=C/2\C=CC=CC2=O)/C(=CN1)C(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O/c1-4-5-14-24(17-10-12-22-13-11-17)21(19(15-23-24)16(2)3)18-8-6-7-9-20(18)25/h6-13,15-16H,4-5,14H2,1-3H3/p+1