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

Systemtic Name: 3-bromanyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 3-bromo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide CAS Name: 3-bromo-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]benzamide IUPAC Name: 3-bromo-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 3-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=C3)Br

Isomeric SMILES

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

InChI

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