1,3-dimethyl-2,4-bis(oxidanylidene)-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-2,4-dioxo-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-2,4-dioxo-6-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]pyrimidine-5-carbonitrile Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25N5O2/c1-23-18(17(12-21)19(26)24(2)20(23)27)22-13-15-6-8-16(9-7-15)14-25-10-4-3-5-11-25/h6-9,22H,3-5,10-11,13-14H2,1-2H3/p+1