5-(3-azanylpropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 5-(3-azanylpropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 5-(3-aminopropylamino)-1-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 5-(3-aminopropylamino)-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 5-(3-aminopropylamino)-1-[4-(4-methylpiperazino)benzyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C25H29N7O3 MolecularWeight: 475.54286

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)C=CC=C5NCCCN)N=[N+]3[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)C=CC=C5NCCCN)N=[N+]3[O-]

InChI

InChI=1S/C25H29N7O3/c1-29-12-14-30(15-13-29)18-8-6-17(7-9-18)16-31-23-22(28-32(31)35)25(34)21-19(24(23)33)4-2-5-20(21)27-11-3-10-26/h2,4-9,27H,3,10-16,26H2,1H3