N-[3-[methyl-[3-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]amino]propyl]phenazine-1-carboxamide

Systemtic Name: N-[3-[methyl-[3-[(1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl]amino]propyl]phenazine-1-carboxamide Openeye Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl-methyl-amino]propyl]phenazine-1-carboxamide CAS Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl-methylamino]propyl]-1-phenazinecarboxamide IUPAC Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl-methylamino]propyl]phenazine-1-carboxamide Traditional Name: N-[3-[3-[(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amino]propyl-methyl-amino]propyl]phenazine-1-carboxamide Formula: C27H28N8O3 MolecularWeight: 512.56302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21)CCCN=C4N=[N+](C5=CC=CC=C5N4O)[O-]

Isomeric SMILES

CN(CCCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21)CCCN=C4N=[N+](C5=CC=CC=C5N4O)[O-]

InChI

InChI=1S/C27H28N8O3/c1-33(18-8-16-29-27-32-35(38)24-14-5-4-13-23(24)34(27)37)17-7-15-28-26(36)19-9-6-12-22-25(19)31-21-11-3-2-10-20(21)30-22/h2-6,9-14,37H,7-8,15-18H2,1H3,(H,28,36)