6-(4-dimethylaminophenyl)-2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-dimethylaminophenyl)-2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-dimethylaminophenyl)-2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-dimethylaminophenyl)-2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-dimethylaminophenyl)-2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-dimethylaminophenyl)-2-[3-(4H-imidazol-3-ium-3-yl)propylamino]-4-keto-1H-pyrimidine-5-carbonitrile Formula: C19H22N7O+ MolecularWeight: 364.42428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCCC[N+]3=CN=CC3)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCCC[N+]3=CN=CC3)C#N

InChI

InChI=1S/C19H21N7O/c1-25(2)15-6-4-14(5-7-15)17-16(12-20)18(27)24-19(23-17)22-8-3-10-26-11-9-21-13-26/h4-7,9,13H,3,8,10-11H2,1-2H3,(H-,22,23,24,27)/p+1