tert-butyl N-[(3S)-1,1-dimethyl-6,7-bis(oxidanyl)-3,4-dihydro-2H-quinolin-1-ium-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1,1-dimethyl-6,7-bis(oxidanyl)-3,4-dihydro-2H-quinolin-1-ium-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl]carbamate CAS Name: N-[(3S)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl]carbamate Traditional Name: N-[(3S)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl]carbamic acid tert-butyl ester Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC2=CC(=C(C=C2[N+](C1)(C)C)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC2=CC(=C(C=C2[N+](C1)(C)C)O)O

InChI

InChI=1S/C16H24N2O4/c1-16(2,3)22-15(21)17-11-6-10-7-13(19)14(20)8-12(10)18(4,5)9-11/h7-8,11H,6,9H2,1-5H3,(H2-,17,19,20,21)/p+1/t11-/m0/s1