methyl 1-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H22ClN2O3S+ MolecularWeight: 417.92898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-27-21(26)14-8-10-23(11-9-14)13-20(25)24-16-4-2-3-5-18(16)28-19-7-6-15(22)12-17(19)24/h2-7,12,14H,8-11,13H2,1H3/p+1