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

Systemtic Name: 2-bromanyl-N-[1-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-bromo-N-[1-[2-(4-cyclohexylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-bromo-N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-bromo-N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 2-bromo-N-[1-[2-(4-cyclohexylanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C26H33BrN3O2+ MolecularWeight: 499.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C26H32BrN3O2/c27-24-9-5-4-8-23(24)26(32)29-22-14-16-30(17-15-22)18-25(31)28-21-12-10-20(11-13-21)19-6-2-1-3-7-19/h4-5,8-13,19,22H,1-3,6-7,14-18H2,(H,28,31)(H,29,32)/p+1