tert-butyl 3-[2-(1-oxidanidyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(1-oxidanidyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(1-oxido-3,6-dihydro-2H-pyridin-1-ium-1-yl)ethyl]indole-1-carboxylate CAS Name: 3-[2-(1-oxido-3,6-dihydro-2H-pyridin-1-ium-1-yl)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(1-oxido-3,6-dihydro-2H-pyridin-1-ium-1-yl)ethyl]indole-1-carboxylate Traditional Name: 3-[2-(1-oxido-3,6-dihydro-2H-pyridin-1-ium-1-yl)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC[N+]3(CCC=CC3)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC[N+]3(CCC=CC3)[O-]

InChI

InChI=1S/C20H26N2O3/c1-20(2,3)25-19(23)21-15-16(17-9-5-6-10-18(17)21)11-14-22(24)12-7-4-8-13-22/h4-7,9-10,15H,8,11-14H2,1-3H3