1-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C17H22N4O2S/c1-11-9-14(12(2)21(11)17-19-5-8-24-17)15(22)10-20-6-3-13(4-7-20)16(18)23/h5,8-9,13H,3-4,6-7,10H2,1-2H3,(H2,18,23)/p+1