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

Systemtic Name: (2S)-1-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCCCC2C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCCC[C@H]2C(=O)N

InChI

InChI=1S/C15H20BrN3O2/c1-10-8-11(16)5-6-12(10)18-14(20)9-19-7-3-2-4-13(19)15(17)21/h5-6,8,13H,2-4,7,9H2,1H3,(H2,17,21)(H,18,20)/p+1/t13-/m0/s1