ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H24BrN2O3+ MolecularWeight: 384.28806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C17H23BrN2O3/c1-3-23-17(22)13-6-8-20(9-7-13)11-16(21)19-14-4-5-15(18)12(2)10-14/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,19,21)/p+1