2,9-bis(chloranyl)-3,8-dimethyl-5-phenylmethoxy-benzo[c]cinnolin-5-ium chloride

Systemtic Name: 2,9-bis(chloranyl)-3,8-dimethyl-5-phenylmethoxy-benzo[c]cinnolin-5-ium chloride Openeye Name: 5-benzyloxy-2,9-dichloro-3,8-dimethyl-benzo[c]cinnolin-5-ium chloride CAS Name: 2,9-dichloro-3,8-dimethyl-5-phenylmethoxybenzo[c]cinnolin-5-ium chloride IUPAC Name: 2,9-dichloro-3,8-dimethyl-5-phenylmethoxybenzo[c]cinnolin-5-ium chloride Traditional Name: 5-benzoxy-2,9-dichloro-3,8-dimethyl-benzo[c]cinnolin-5-ium chloride Formula: C21H17Cl3N2O MolecularWeight: 419.73148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C3=CC(=C(C=C3[N+](=NC2=C1)OCC4=CC=CC=C4)C)Cl)Cl.[Cl-]

Isomeric SMILES

CC1=C(C=C2C3=CC(=C(C=C3[N+](=NC2=C1)OCC4=CC=CC=C4)C)Cl)Cl.[Cl-]

InChI

InChI=1S/C21H17Cl2N2O.ClH/c1-13-8-20-16(10-18(13)22)17-11-19(23)14(2)9-21(17)25(24-20)26-12-15-6-4-3-5-7-15;/h3-11H,12H2,1-2H3;1H/q+1;/p-1