N-[1-[1-[2-(cyclooctylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-phenoxy-benzamide

Systemtic Name: N-[1-[1-[2-(cyclooctylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-phenoxy-benzamide Openeye Name: N-[1-benzyl-2-[1-[2-(cyclooctylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]-3-phenoxy-benzamide CAS Name: N-[1-[1-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-1-oxo-3-phenylpropan-2-yl]-3-phenoxybenzamide IUPAC Name: N-[1-[1-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenoxybenzamide Traditional Name: N-[1-benzyl-2-[1-[2-(cyclooctylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]-3-phenoxy-benzamide Formula: C36H44N3O5+ MolecularWeight: 598.75166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C36H43N3O5/c40-33(28-17-14-22-31(26-28)44-30-20-10-5-11-21-30)38-32(25-27-15-6-4-7-16-27)35(42)39(23-12-13-24-39)36(43)34(41)37-29-18-8-2-1-3-9-19-29/h4-7,10-11,14-17,20-22,26,29,32,36,43H,1-3,8-9,12-13,18-19,23-25H2,(H-,37,38,40,41)/p+1