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

Systemtic Name: 2-bromanyl-N-[1-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-bromo-N-[1-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-bromo-N-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-bromo-N-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 2-bromo-N-[1-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H29BrN3O2+ MolecularWeight: 459.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C23H28BrN3O2/c1-3-17-8-6-7-16(2)22(17)26-21(28)15-27-13-11-18(12-14-27)25-23(29)19-9-4-5-10-20(19)24/h4-10,18H,3,11-15H2,1-2H3,(H,25,29)(H,26,28)/p+1