4-[2-(2-azanylethyl)-6-oxidanylidene-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(2-azanylethyl)-6-oxidanylidene-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(2-aminoethyl)-6-oxo-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl]benzonitrile CAS Name: 4-[2-(2-aminoethyl)-6-oxo-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl]benzonitrile IUPAC Name: 4-[2-(2-aminoethyl)-6-oxo-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl]benzonitrile Traditional Name: 4-[2-(2-aminoethyl)-6-keto-3,4-dihydropyrazin[1,2-b]indazol-6-ium-1-yl]benzonitrile Formula: C19H18N5O+ MolecularWeight: 332.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=C(N1CCN)C3=CC=C(C=C3)C#N)C4=CC=CC=C4[N+]2=O

Isomeric SMILES

C1CN2C(=C(N1CCN)C3=CC=C(C=C3)C#N)C4=CC=CC=C4[N+]2=O

InChI

InChI=1S/C19H18N5O/c20-9-10-22-11-12-23-19(16-3-1-2-4-17(16)24(23)25)18(22)15-7-5-14(13-21)6-8-15/h1-8H,9-12,20H2/q+1