3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloranyl-10-oxidanidyl-5-oxidanylidene-phenazin-5-ium-2-carbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloranyl-10-oxidanidyl-5-oxidanylidene-phenazin-5-ium-2-carbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloro-10-oxido-5-oxo-phenazin-5-ium-2-carbonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-chloro-10-oxido-5-oxo-2-phenazin-5-iumcarbonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloro-10-oxido-5-oxophenazin-5-ium-2-carbonitrile Traditional Name: 8-chloro-5-keto-10-oxido-3-(4-piperonylpiperazino)phenazin-5-ium-2-carbonitrile Formula: C25H20ClN5O4 MolecularWeight: 489.9104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4C#N)N(C6=C([N+]5=O)C=CC(=C6)Cl)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4C#N)N(C6=C([N+]5=O)C=CC(=C6)Cl)[O-]

InChI

InChI=1S/C25H20ClN5O4/c26-18-2-3-19-22(11-18)31(33)21-10-17(13-27)20(12-23(21)30(19)32)29-7-5-28(6-8-29)14-16-1-4-24-25(9-16)35-15-34-24/h1-4,9-12H,5-8,14-15H2