3-[[8-azanyl-10-(4-methoxyphenyl)-7,9-dimethyl-phenazin-10-ium-2-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[8-azanyl-10-(4-methoxyphenyl)-7,9-dimethyl-phenazin-10-ium-2-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[8-amino-10-(4-methoxyphenyl)-7,9-dimethyl-phenazin-10-ium-2-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[8-amino-10-(4-methoxyphenyl)-7,9-dimethyl-2-phenazin-10-iumyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[8-amino-10-(4-methoxyphenyl)-7,9-dimethylphenazin-10-ium-2-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[8-amino-10-(4-methoxyphenyl)-7,9-dimethyl-phenazin-10-ium-2-yl]-(2-cyanoethyl)amino]propionitrile Formula: C27H27N6O+ MolecularWeight: 451.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C(C=C3)N(CCC#N)CCC#N)[N+](=C2C(=C1N)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NC3=C(C=C(C=C3)N(CCC#N)CCC#N)[N+](=C2C(=C1N)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26N6O/c1-18-16-24-27(19(2)26(18)30)33(20-6-9-22(34-3)10-7-20)25-17-21(8-11-23(25)31-24)32(14-4-12-28)15-5-13-29/h6-11,16-17,30H,4-5,14-15H2,1-3H3/p+1