4-iodanyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-iodanyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 4-iodo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide CAS Name: 4-iodo-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]benzamide IUPAC Name: 4-iodo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 4-iodo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide Formula: C17H21IN3OS+ MolecularWeight: 442.33761

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H20IN3OS/c1-12-3-2-8-21(9-12)10-15-11-23-17(19-15)20-16(22)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3,(H,19,20,22)/p+1/t12-/m0/s1