N9,N9-diethyl-12H-benzo[a]phenoxazin-12-ium-5,9-diamine perchlorate

Systemtic Name: N9,N9-diethyl-12H-benzo[a]phenoxazin-12-ium-5,9-diamine perchlorate Openeye Name: N9,N9-diethyl-12H-benzo[a]phenoxazin-12-ium-5,9-diamine perchlorate CAS Name: N9,N9-diethyl-12H-benzo[a]phenoxazin-12-ium-5,9-diamine perchlorate IUPAC Name: 9-N,9-N-diethyl-12H-benzo[a]phenoxazin-12-ium-5,9-diamine perchlorate Traditional Name: (5-amino-12H-benzo[a]phenoxazin-12-ium-9-yl)-diethyl-amine perchlorate Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)[NH2+]C3=C(O2)C=C(C4=CC=CC=C43)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)[NH2+]C3=C(O2)C=C(C4=CC=CC=C43)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H21N3O.ClHO4/c1-3-23(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;2-1(3,4)5/h5-12,22H,3-4,21H2,1-2H3;(H,2,3,4,5)