1-[[3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C2C=CC(=O)C(=C2)C[NH+]3CCC(CC3)C(=O)N)N1)C

Isomeric SMILES

CC1=CN=C(C(=C2C=CC(=O)C(=C2)C[NH+]3CCC(CC3)C(=O)N)N1)C

InChI

InChI=1S/C19H24N4O2/c1-12-10-21-13(2)18(22-12)15-3-4-17(24)16(9-15)11-23-7-5-14(6-8-23)19(20)25/h3-4,9-10,14,22H,5-8,11H2,1-2H3,(H2,20,25)/p+1