[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium; hydrogen sulfate

Systemtic Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium; hydrogen sulfate Openeye Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium; hydrogen sulfate CAS Name: [9-(diethylamino)-5-benzo[a]phenoxazinylidene]ammonium; hydrogen sulfate IUPAC Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]azanium; hydrogen sulfate Traditional Name: [9-(diethylamino)benzo[a]phenoxazin-5-ylidene]ammonium bisulfate Formula: C40H41N6O6S+ MolecularWeight: 733.85514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2.CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2.OS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2.CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2.OS(=O)(=O)[O-]

InChI

InChI=1S/2C20H19N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12,21H,3-4H2,1-2H3;(H2,1,2,3,4)/p+1