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

Systemtic Name: 1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H23N3OS/c1-12-11-22-17(18-12)20-13(2)9-15(14(20)3)16(21)10-19-7-5-4-6-8-19/h9,11H,4-8,10H2,1-3H3/p+1