3-[(8-azanyl-7-oxidanylidene-phenothiazin-2-yl)carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(8-azanyl-7-oxidanylidene-phenothiazin-2-yl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(8-amino-7-oxo-phenothiazine-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(8-amino-7-oxo-2-phenothiazinyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(8-amino-7-oxophenothiazine-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(8-amino-7-keto-phenothiazine-2-carbonyl)amino]propyl-dimethyl-ammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC2=C(C=C1)SC3=CC(=O)C(=CC3=N2)N

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC2=C(C=C1)SC3=CC(=O)C(=CC3=N2)N

InChI

InChI=1S/C18H20N4O2S/c1-22(2)7-3-6-20-18(24)11-4-5-16-13(8-11)21-14-9-12(19)15(23)10-17(14)25-16/h4-5,8-10H,3,6-7,19H2,1-2H3,(H,20,24)/p+1