2-(2,4-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium]

Systemtic Name: 2-(2,4-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] Openeye Name: 2-(2,4-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] CAS Name: 2-(2,4-dimethoxyphenyl)-7-methylspiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] IUPAC Name: 2-(2,4-dimethoxyphenyl)-7-methylspiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] Traditional Name: 2-(2,4-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] Formula: C21H27N3O2+2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+]3(CCCCC3)C[N+](=N2)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)[N+]3(CCCCC3)C[N+](=N2)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C21H27N3O2/c1-16-7-10-20-18(13-16)22-23(15-24(20)11-5-4-6-12-24)19-9-8-17(25-2)14-21(19)26-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3/q+2