(3R)-1-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C20H20ClN3O2S/c21-14-7-8-18-16(10-14)24(15-5-1-2-6-17(15)27-18)19(25)12-23-9-3-4-13(11-23)20(22)26/h1-2,5-8,10,13H,3-4,9,11-12H2,(H2,22,26)/p+1/t13-/m1/s1