tert-butyl 3-(2-pyridin-1-ium-1-ylethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-pyridin-1-ium-1-ylethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(2-pyridin-1-ium-1-ylethyl)indole-1-carboxylate CAS Name: 3-[2-(1-pyridin-1-iumyl)ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-pyridin-1-ium-1-ylethyl)indole-1-carboxylate Traditional Name: 3-(2-pyridin-1-ium-1-ylethyl)indole-1-carboxylic acid tert-butyl ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC[N+]3=CC=CC=C3

InChI

InChI=1S/C20H23N2O2/c1-20(2,3)24-19(23)22-15-16(17-9-5-6-10-18(17)22)11-14-21-12-7-4-8-13-21/h4-10,12-13,15H,11,14H2,1-3H3/q+1