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

Systemtic Name: 3-bromanyl-5-methoxy-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-propoxy-benzamide Openeye Name: 3-bromo-5-methoxy-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-4-propoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-propoxybenzamide Traditional Name: 3-bromo-5-methoxy-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-propoxy-benzamide Formula: C21H29BrN3O3S+ MolecularWeight: 483.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NC(=CS2)C[NH+]3CCC(CC3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NC(=CS2)C[NH+]3CCC(CC3)C)OC

InChI

InChI=1S/C21H28BrN3O3S/c1-4-9-28-19-17(22)10-15(11-18(19)27-3)20(26)24-21-23-16(13-29-21)12-25-7-5-14(2)6-8-25/h10-11,13-14H,4-9,12H2,1-3H3,(H,23,24,26)/p+1