4,6-dimethyl-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-nicotinonitrile Formula: C21H23N6O+ MolecularWeight: 375.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H22N6O/c1-14-11-15(2)23-20(17(14)12-22)27-9-7-26(8-10-27)13-19-24-18-6-4-3-5-16(18)21(28)25-19/h3-6,11H,7-10,13H2,1-2H3,(H,24,25,28)/p+1