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

Systemtic Name: 2-bromanyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide CAS Name: 2-bromo-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]benzamide IUPAC Name: 2-bromo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide Formula: C17H21BrN3OS+ MolecularWeight: 395.33714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H20BrN3OS/c1-12-5-4-8-21(9-12)10-13-11-23-17(19-13)20-16(22)14-6-2-3-7-15(14)18/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,19,20,22)/p+1/t12-/m0/s1