3-[[4-[[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]diazenyl]phenyl]-ethyl-amino]propanenitrile chloride

Systemtic Name: 3-[[4-[[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]diazenyl]phenyl]-ethyl-amino]propanenitrile chloride Openeye Name: 3-[4-[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]azo-N-ethyl-anilino]propanenitrile chloride CAS Name: 3-[4-[[8-(diethylamino)-10-phenyl-2-phenazin-10-iumyl]azo]-N-ethylanilino]propanenitrile chloride IUPAC Name: 3-[4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]-N-ethylanilino]propanenitrile chloride Traditional Name: 3-[4-[8-(diethylamino)-10-phenyl-phenazin-10-ium-2-yl]azo-N-ethyl-anilino]propionitrile chloride Formula: C33H34ClN7 MolecularWeight: 564.12296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(CC)CCC#N)N=C2C=C1)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(CC)CCC#N)N=C2C=C1)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C33H34N7.ClH/c1-4-38(5-2)29-18-20-31-33(24-29)40(28-11-8-7-9-12-28)32-23-26(15-19-30(32)35-31)37-36-25-13-16-27(17-14-25)39(6-3)22-10-21-34;/h7-9,11-20,23-24H,4-6,10,22H2,1-3H3;1H/q+1;/p-1