4-[(3-bromophenyl)amino]-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile CAS Name: 4-(3-bromoanilino)-6-[4-(dimethylamino)-1-pyridin-1-iumyl]-1,7-naphthyridine-3-carbonitrile IUPAC Name: 4-(3-bromoanilino)-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-6-[4-(dimethylamino)pyridin-1-ium-1-yl]-1,7-naphthyridine-3-carbonitrile Formula: C22H18BrN6+ MolecularWeight: 446.32252

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=NC=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=CC=C4)Br

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=NC=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H18BrN6/c1-28(2)18-6-8-29(9-7-18)21-11-19-20(14-26-21)25-13-15(12-24)22(19)27-17-5-3-4-16(23)10-17/h3-11,13-14H,1-2H3,(H,25,27)/q+1