ethyl N-[(5R)-10-(3-morpholin-4-ium-4-ylpropanoyl)-5-oxidanylidene-phenothiazin-2-yl]carbamate

Systemtic Name: ethyl N-[(5R)-10-(3-morpholin-4-ium-4-ylpropanoyl)-5-oxidanylidene-phenothiazin-2-yl]carbamate Openeye Name: ethyl N-[(5R)-10-(3-morpholin-4-ium-4-ylpropanoyl)-5-oxo-phenothiazin-2-yl]carbamate CAS Name: N-[(5R)-10-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-5-oxo-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(5R)-10-(3-morpholin-4-ium-4-ylpropanoyl)-5-oxophenothiazin-2-yl]carbamate Traditional Name: N-[(5R)-5-keto-10-(3-morpholin-4-ium-4-ylpropanoyl)phenothiazin-2-yl]carbamic acid ethyl ester Formula: C22H26N3O5S+ MolecularWeight: 444.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)[S@](=O)C3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O5S/c1-2-30-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)31(20)28)21(26)9-10-24-11-13-29-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)/p+1/t31-/m1/s1