methyl N-[10-(3-morpholin-4-ium-4-ylpropanoyl)phenothiazin-2-yl]carbamate

Systemtic Name: methyl N-[10-(3-morpholin-4-ium-4-ylpropanoyl)phenothiazin-2-yl]carbamate Openeye Name: methyl N-[10-(3-morpholin-4-ium-4-ylpropanoyl)phenothiazin-2-yl]carbamate CAS Name: N-[10-[3-(4-morpholin-4-iumyl)-1-oxopropyl]-2-phenothiazinyl]carbamic acid methyl ester IUPAC Name: methyl N-[10-(3-morpholin-4-ium-4-ylpropanoyl)phenothiazin-2-yl]carbamate Traditional Name: N-[10-(3-morpholin-4-ium-4-ylpropanoyl)phenothiazin-2-yl]carbamic acid methyl ester Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4

Isomeric SMILES

COC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O4S/c1-27-21(26)22-15-6-7-19-17(14-15)24(16-4-2-3-5-18(16)29-19)20(25)8-9-23-10-12-28-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,26)/p+1