2-azanyl-1-(5-bromanylpyridin-1-ium-2-yl)-4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(5-bromanylpyridin-1-ium-2-yl)-4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-bromopyridin-1-ium-2-yl)-4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(5-bromo-2-pyridin-1-iumyl)-4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-bromopyridin-1-ium-2-yl)-4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(5-bromopyridin-1-ium-2-yl)-4-(4-dimethylaminophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27BrN5O+ MolecularWeight: 493.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=[NH+]C=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)N(C)C)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=[NH+]C=C(C=C3)Br)N)C#N)C4=CC=C(C=C4)N(C)C)C(=O)C1)C

InChI

InChI=1S/C25H26BrN5O/c1-25(2)11-19-23(20(32)12-25)22(15-5-8-17(9-6-15)30(3)4)18(13-27)24(28)31(19)21-10-7-16(26)14-29-21/h5-10,14,22H,11-12,28H2,1-4H3/p+1