7-(dimethylamino)-3-(4-ethanoylpiperazin-1-yl)phenoxazin-10-ium-1-one chloride

Systemtic Name: 7-(dimethylamino)-3-(4-ethanoylpiperazin-1-yl)phenoxazin-10-ium-1-one chloride Openeye Name: 3-(4-acetylpiperazin-1-yl)-7-(dimethylamino)phenoxazin-10-ium-1-one chloride CAS Name: 3-(4-acetyl-1-piperazinyl)-7-(dimethylamino)-1-phenoxazin-10-iumone chloride IUPAC Name: 3-(4-acetylpiperazin-1-yl)-7-(dimethylamino)phenoxazin-10-ium-1-one chloride Traditional Name: 3-(4-acetylpiperazino)-7-(dimethylamino)phenoxazin-10-ium-1-one chloride Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=O)C3=[NH+]C4=C(C=C(C=C4)N(C)C)OC3=C2.[Cl-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=O)C3=[NH+]C4=C(C=C(C=C4)N(C)C)OC3=C2.[Cl-]

InChI

InChI=1S/C20H22N4O3.ClH/c1-13(25)23-6-8-24(9-7-23)15-10-17(26)20-19(12-15)27-18-11-14(22(2)3)4-5-16(18)21-20;/h4-5,10-12H,6-9H2,1-3H3;1H