1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C16H21N3O2S/c1-11-10-22-16(17-11)19-12(2)8-14(13(19)3)15(20)9-18-4-6-21-7-5-18/h8,10H,4-7,9H2,1-3H3/p+1