methyl 5-bromanyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-bromanyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-bromo-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24BrN2O3S+ MolecularWeight: 452.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)Br)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)Br)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23BrN2O3S/c1-13-8-10-23(11-9-13)12-15(24)22-19-17(20(25)26-2)16(18(21)27-19)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,22,24)/p+1