2,4-bis(oxidanylidene)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis(oxidanylidene)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrimidine-5-carbonitrile Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 2,4-dioxo-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-pyrimidinecarbonitrile IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-2,4-diketo-pyrimidine-5-carbonitrile Formula: C17H19N4O2+ MolecularWeight: 311.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(C(=O)NC2=O)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N2C=C(C(=O)NC2=O)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2/c18-10-14-12-21(17(23)19-16(14)22)15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-5,12,15H,6-9,11H2,(H,19,22,23)/p+1