ethyl N-[10-(4-methylpiperazin-4-ium-1-yl)carbonylphenothiazin-2-yl]carbamate

Systemtic Name: ethyl N-[10-(4-methylpiperazin-4-ium-1-yl)carbonylphenothiazin-2-yl]carbamate Openeye Name: ethyl N-[10-(4-methylpiperazin-4-ium-1-carbonyl)phenothiazin-2-yl]carbamate CAS Name: N-[10-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[10-(4-methylpiperazin-4-ium-1-carbonyl)phenothiazin-2-yl]carbamate Traditional Name: N-[10-(4-methylpiperazin-4-ium-1-carbonyl)phenothiazin-2-yl]carbamic acid ethyl ester Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H24N4O3S/c1-3-28-20(26)22-15-8-9-19-17(14-15)25(16-6-4-5-7-18(16)29-19)21(27)24-12-10-23(2)11-13-24/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)/p+1