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

Systemtic Name: [3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C20H30N4O+2 MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C2C=CC(=O)C(=C2)C[NH+](C)C3CC[NH+](CC3)C)N1)C

Isomeric SMILES

CC1=CN=C(C(=C2C=CC(=O)C(=C2)C[NH+](C)C3CC[NH+](CC3)C)N1)C

InChI

InChI=1S/C20H28N4O/c1-14-12-21-15(2)20(22-14)16-5-6-19(25)17(11-16)13-24(4)18-7-9-23(3)10-8-18/h5-6,11-12,18,22H,7-10,13H2,1-4H3/p+2