3-[[2-(ethoxycarbonylamino)phenothiazin-10-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(ethoxycarbonylamino)phenothiazin-10-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(ethoxycarbonylamino)phenothiazine-10-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(ethoxycarbonylamino)-10-phenothiazinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(ethoxycarbonylamino)phenothiazine-10-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(carbethoxyamino)phenothiazine-10-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)NCCC[NH+](C)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H26N4O3S/c1-4-28-21(27)23-15-10-11-19-17(14-15)25(16-8-5-6-9-18(16)29-19)20(26)22-12-7-13-24(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,22,26)(H,23,27)/p+1