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

Systemtic Name: N-[1-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-[1-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide CAS Name: N-[1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-[1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Traditional Name: N-[1-[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Formula: C21H31BrN3O2+ MolecularWeight: 437.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3)Br

InChI

InChI=1S/C21H30BrN3O2/c1-15-7-8-19(18(22)13-15)24-20(26)14-25-11-9-17(10-12-25)23-21(27)16-5-3-2-4-6-16/h7-8,13,16-17H,2-6,9-12,14H2,1H3,(H,23,27)(H,24,26)/p+1