(E)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate

Systemtic Name: (E)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate Openeye Name: (E)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate CAS Name: (E)-6-(9-acridinylamino)hexoxy-(3-diazonio-1-cyclopenta-2,4-dienylidene)methanolate IUPAC Name: (E)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate Traditional Name: (E)-6-(acridin-9-ylamino)hexoxy-(3-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCOC(=C4C=CC(=C4)[N+]#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCO/C(=C/4\C=CC(=C4)[N+]#N)/[O-]

InChI

InChI=1S/C25H24N4O2/c26-29-19-14-13-18(17-19)25(30)31-16-8-2-1-7-15-27-24-20-9-3-5-11-22(20)28-23-12-6-4-10-21(23)24/h3-6,9-14,17H,1-2,7-8,15-16H2,(H-,27,28,30)/b25-18+