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

Systemtic Name: tert-butyl 2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethanoyl]pyrrolidin-1-ium-1-yl]carbonyl-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 2-[1-[2-(cyclohexylamino)-2-oxo-acetyl]pyrrolidin-1-ium-1-carbonyl]indoline-1-carboxylate CAS Name: 2-[[1-[2-(cyclohexylamino)-1,2-dioxoethyl]-1-pyrrolidin-1-iumyl]-oxomethyl]-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-(cyclohexylamino)-2-oxoacetyl]pyrrolidin-1-ium-1-carbonyl]-2,3-dihydroindole-1-carboxylate Traditional Name: 2-[1-[2-(cyclohexylamino)-2-keto-acetyl]pyrrolidin-1-ium-1-carbonyl]indoline-1-carboxylic acid tert-butyl ester Formula: C26H36N3O5+ MolecularWeight: 470.58114

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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(=O)C(=O)NC4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O5/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/h7-8,11,14,19,21H,4-6,9-10,12-13,15-17H2,1-3H3/p+1