4-[[6-oxidanylidene-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[6-oxidanylidene-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[6-oxo-3-(1H-pyridin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[6-keto-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3C=CC=CN3)C=CC2=O)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3C=CC=CN3)C=CC2=O)C=O

InChI

InChI=1S/C17H19N3O2/c21-13-20-9-7-19(8-10-20)12-15-11-14(4-5-17(15)22)16-3-1-2-6-18-16/h1-6,11,13,18H,7-10,12H2/p+1