2-bromanyl-N-[1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-bromo-N-[1-[2-(2,6-diethylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-bromo-N-[1-[2-(2,6-diethylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-bromo-N-[1-[2-(2,6-diethylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 2-bromo-N-[1-[2-(2,6-diethylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C24H31BrN3O2+ MolecularWeight: 473.42584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C24H30BrN3O2/c1-3-17-8-7-9-18(4-2)23(17)27-22(29)16-28-14-12-19(13-15-28)26-24(30)20-10-5-6-11-21(20)25/h5-11,19H,3-4,12-16H2,1-2H3,(H,26,30)(H,27,29)/p+1