tert-butyl 3-[(2R)-pyrrolidin-1-ium-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2R)-pyrrolidin-1-ium-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2R)-pyrrolidin-1-ium-2-yl]indole-1-carboxylate CAS Name: 3-[(2R)-2-pyrrolidin-1-iumyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2R)-pyrrolidin-1-ium-2-yl]indole-1-carboxylate Traditional Name: 3-[(2R)-pyrrolidin-1-ium-2-yl]indole-1-carboxylic acid tert-butyl ester Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CCC[NH2+]3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-11-13(14-8-6-10-18-14)12-7-4-5-9-15(12)19/h4-5,7,9,11,14,18H,6,8,10H2,1-3H3/p+1/t14-/m1/s1