1-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H29BrN3O2+ MolecularWeight: 459.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C23H28BrN3O2/c1-16-8-9-21(20(24)14-16)26-22(28)17(2)27-12-10-19(11-13-27)23(29)25-15-18-6-4-3-5-7-18/h3-9,14,17,19H,10-13,15H2,1-2H3,(H,25,29)(H,26,28)/p+1/t17-/m0/s1