12H-benzo[b]phenoxazin-12-ium-3,7-diamine ethanoate

Systemtic Name: 12H-benzo[b]phenoxazin-12-ium-3,7-diamine ethanoate Openeye Name: 12H-benzo[b]phenoxazin-12-ium-3,7-diamine acetate CAS Name: 12H-benzo[b]phenoxazin-12-ium-3,7-diamine acetate IUPAC Name: 12H-benzo[b]phenoxazin-12-ium-3,7-diamine acetate Traditional Name: (3-amino-12H-benzo[b]phenoxazin-12-ium-7-yl)amine acetate Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=CC3=C(C=C2C(=C1)N)OC4=C([NH2+]3)C=CC(=C4)N

Isomeric SMILES

CC(=O)[O-].C1=CC2=CC3=C(C=C2C(=C1)N)OC4=C([NH2+]3)C=CC(=C4)N

InChI

InChI=1S/C16H13N3O.C2H4O2/c17-10-4-5-13-15(7-10)20-16-8-11-9(6-14(16)19-13)2-1-3-12(11)18;1-2(3)4/h1-8,19H,17-18H2;1H3,(H,3,4)