3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-[4-(4-methylpiperazino)benzyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)CN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)CN3C4=C(C(=O)C5=CC=CC=C5C4=O)N=[N+]3[O-]

InChI

InChI=1S/C22H21N5O3/c1-24-10-12-25(13-11-24)16-8-6-15(7-9-16)14-26-20-19(23-27(26)30)21(28)17-4-2-3-5-18(17)22(20)29/h2-9H,10-14H2,1H3