tert-butyl 3-[2-(3-ethylpyridin-1-ium-1-yl)ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(3-ethylpyridin-1-ium-1-yl)ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(3-ethylpyridin-1-ium-1-yl)ethyl]indole-1-carboxylate CAS Name: 3-[2-(3-ethyl-1-pyridin-1-iumyl)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(3-ethylpyridin-1-ium-1-yl)ethyl]indole-1-carboxylate Traditional Name: 3-[2-(3-ethylpyridin-1-ium-1-yl)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C[N+](=CC=C1)CCC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N2O2/c1-5-17-9-8-13-23(15-17)14-12-18-16-24(21(25)26-22(2,3)4)20-11-7-6-10-19(18)20/h6-11,13,15-16H,5,12,14H2,1-4H3/q+1