ethyl 1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate chloride Openeye Name: ethyl 1-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate chloride CAS Name: 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate chloride Traditional Name: 1-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C18H26BrClN2O3 MolecularWeight: 433.76764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC(=C(C=C2)Br)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC(=C(C=C2)Br)C.[Cl-]

InChI

InChI=1S/C18H25BrN2O3.ClH/c1-3-24-18(23)14-5-4-9-21(12-14)10-8-17(22)20-15-6-7-16(19)13(2)11-15;/h6-7,11,14H,3-5,8-10,12H2,1-2H3,(H,20,22);1H