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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 5-bromo-2-chloro-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide CAS Name: 5-bromo-2-chloro-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide Formula: C17H20BrClN3OS+ MolecularWeight: 429.7822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrClN3OS/c1-11-3-2-6-22(8-11)9-13-10-24-17(20-13)21-16(23)14-7-12(18)4-5-15(14)19/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,20,21,23)/p+1/t11-/m0/s1