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

Systemtic Name: (3S)-1-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)N)Br

InChI

InChI=1S/C15H20BrN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/p+1/t11-/m0/s1