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

Systemtic Name: methyl 1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22BrN2O3+ MolecularWeight: 370.26148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)Br

InChI

InChI=1S/C16H21BrN2O3/c1-11-3-4-13(9-14(11)17)18-15(20)10-19-7-5-12(6-8-19)16(21)22-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,20)/p+1