3-bromanyl-2,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-bromanyl-2,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3-bromo-2,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3-bromo-2,5-dimethoxy-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3-bromo-2,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3-bromo-2,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C18H23BrN3O3S+ MolecularWeight: 441.36252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)OC)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-24-13-8-14(16(25-2)15(19)9-13)17(23)21-18-20-12(11-26-18)10-22-6-4-3-5-7-22/h8-9,11H,3-7,10H2,1-2H3,(H,20,21,23)/p+1