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

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[[6-oxidanylidene-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Openeye Name: 3-morpholin-4-ium-4-ylpropyl-[[6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-[[6-oxo-3-(1H-pyridin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: 3-morpholin-4-ium-4-ylpropyl-[[6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: [6-keto-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CC(=C3C=CC=CN3)C=CC2=O

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CC(=C3C=CC=CN3)C=CC2=O

InChI

InChI=1S/C19H25N3O2/c23-19-6-5-16(18-4-1-2-8-21-18)14-17(19)15-20-7-3-9-22-10-12-24-13-11-22/h1-2,4-6,8,14,20-21H,3,7,9-13,15H2/p+2