tert-butyl 2-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]carbonyl-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 2-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]carbonyl-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-carbonyl]indoline-1-carboxylate CAS Name: 2-[[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-oxomethyl]-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-carbonyl]-2,3-dihydroindole-1-carboxylate Traditional Name: 2-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-carbonyl]indoline-1-carboxylic acid tert-butyl ester Formula: C26H38N3O5+ MolecularWeight: 472.59702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)[N+]3(CCCC3)C(C(=O)NC4CCCCC4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)[N+]3(CCCC3)C(C(=O)NC4CCCCC4)O

InChI

InChI=1S/C26H37N3O5/c1-26(2,3)34-25(33)28-20-14-8-7-11-18(20)17-21(28)23(31)29(15-9-10-16-29)24(32)22(30)27-19-12-5-4-6-13-19/h7-8,11,14,19,21,24,32H,4-6,9-10,12-13,15-17H2,1-3H3/p+1