7-(5-azanylpentylamino)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 7-(5-azanylpentylamino)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 7-(5-aminopentylamino)-3-[2-[4-[2-methoxy-4-(3-morpholinopropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 7-(5-aminopentylamino)-3-[2-[4-[2-methoxy-4-[3-(4-morpholinyl)propyl]phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 7-(5-aminopentylamino)-3-[2-[4-[2-methoxy-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 7-(5-aminopentylamino)-3-[2-[4-[2-methoxy-4-(3-morpholinopropyl)phenyl]phenyl]ethyl]-6-nitro-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C37H43N7O7 MolecularWeight: 697.78002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCN2CCOCC2)C3=CC=C(C=C3)CCN4C5=C(C(=O)C6=CC(=C(C=C6C5=O)[N+](=O)[O-])NCCCCCN)N=[N+]4[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CCCN2CCOCC2)C3=CC=C(C=C3)CCN4C5=C(C(=O)C6=CC(=C(C=C6C5=O)[N+](=O)[O-])NCCCCCN)N=[N+]4[O-]

InChI

InChI=1S/C37H43N7O7/c1-50-33-22-26(6-5-16-41-18-20-51-21-19-41)9-12-28(33)27-10-7-25(8-11-27)13-17-42-35-34(40-44(42)49)36(45)29-23-31(39-15-4-2-3-14-38)32(43(47)48)24-30(29)37(35)46/h7-12,22-24,39H,2-6,13-21,38H2,1H3