4-[(1-hexadecylpyridin-1-ium-4-yl)diazenyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(1-hexadecylpyridin-1-ium-4-yl)diazenyl]-N,N-dimethyl-aniline Openeye Name: 4-(1-hexadecylpyridin-1-ium-4-yl)azo-N,N-dimethyl-aniline CAS Name: 4-[(1-hexadecyl-4-pyridin-1-iumyl)azo]-N,N-dimethylaniline IUPAC Name: 4-[(1-hexadecylpyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline Traditional Name: [4-(1-cetylpyridin-1-ium-4-yl)azophenyl]-dimethyl-amine Formula: C29H47N4+ MolecularWeight: 451.71028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C29H47N4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-25-22-28(23-26-33)31-30-27-18-20-29(21-19-27)32(2)3/h18-23,25-26H,4-17,24H2,1-3H3/q+1