N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide Traditional Name: 2-[(1S)-3-ketophthalan-1-yl]-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H23N3O3S/c1-13-6-8-23(9-7-13)11-14-12-27-20(21-14)22-18(24)10-17-15-4-2-3-5-16(15)19(25)26-17/h2-5,12-13,17H,6-11H2,1H3,(H,21,22,24)/p+1/t17-/m0/s1