3-(butylamino)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile

Systemtic Name: 3-(butylamino)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Openeye Name: 3-(butylamino)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile CAS Name: 3-(butylamino)-4-benzo[b][1,6]naphthyridin-2-iumcarbonitrile IUPAC Name: 3-(butylamino)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Traditional Name: 3-(butylamino)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Formula: C17H17N4+ MolecularWeight: 277.34368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C2=NC3=CC=CC=C3C=C2C=[NH+]1)C#N

Isomeric SMILES

CCCCNC1=C(C2=NC3=CC=CC=C3C=C2C=[NH+]1)C#N

InChI

InChI=1S/C17H16N4/c1-2-3-8-19-17-14(10-18)16-13(11-20-17)9-12-6-4-5-7-15(12)21-16/h4-7,9,11H,2-3,8H2,1H3,(H,19,20)/p+1