2-(3,5-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium]

Systemtic Name: 2-(3,5-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] Openeye Name: 2-(3,5-dimethoxyphenyl)-7-methyl-spiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] CAS Name: 2-(3,5-dimethoxyphenyl)-7-methylspiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] IUPAC Name: 2-(3,5-dimethoxyphenyl)-7-methylspiro[3H-1,2,4-benzotriazine-2,4-diium-4,1'-azinan-1-ium] Traditional Name: 2-(3,5-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=CC(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

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