4-[(1-butyl-2,3-dihydropyridin-3-ylium-4-yl)diazenyl]-N,N,3-trimethyl-aniline bromide

Systemtic Name: 4-[(1-butyl-2,3-dihydropyridin-3-ylium-4-yl)diazenyl]-N,N,3-trimethyl-aniline bromide Openeye Name: 4-[(1-butyl-2,3-dihydropyridin-3-ylium-4-yl)azo]-N,N,3-trimethyl-aniline bromide CAS Name: 4-[(1-butyl-2,3-dihydropyridin-3-ylium-4-yl)azo]-N,N,3-trimethylaniline bromide IUPAC Name: 4-[(1-butyl-2,3-dihydropyridin-3-ylium-4-yl)diazenyl]-N,N,3-trimethylaniline bromide Traditional Name: [4-[(1-butyl-2,3-dihydropyridin-3-ylium-4-yl)azo]-3-methyl-phenyl]-dimethyl-amine bromide Formula: C18H25BrN4 MolecularWeight: 377.3219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C[C+]=C(C=C1)N=NC2=C(C=C(C=C2)N(C)C)C.[Br-]

Isomeric SMILES

CCCCN1C[C+]=C(C=C1)N=NC2=C(C=C(C=C2)N(C)C)C.[Br-]

InChI

InChI=1S/C18H25N4.BrH/c1-5-6-11-22-12-9-16(10-13-22)19-20-18-8-7-17(21(3)4)14-15(18)2;/h7-9,12,14H,5-6,11,13H2,1-4H3;1H/q+1;/p-1