tert-butyl N-[1-[1-[2-(cyclooctylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[1-[2-(cyclooctylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[1-[2-(cyclooctylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[1-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[1-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[1-[2-(cyclooctylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C28H44N3O5+ MolecularWeight: 502.66606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCCCC3)O

InChI

InChI=1S/C28H43N3O5/c1-28(2,3)36-27(35)30-23(20-21-14-8-7-9-15-21)25(33)31(18-12-13-19-31)26(34)24(32)29-22-16-10-5-4-6-11-17-22/h7-9,14-15,22-23,26,34H,4-6,10-13,16-20H2,1-3H3,(H-,29,30,32,35)/p+1