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

Systemtic Name: tert-butyl 3-[(3R)-pyrrolidin-1-ium-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(3R)-pyrrolidin-1-ium-3-yl]indole-1-carboxylate CAS Name: 3-[(3R)-3-pyrrolidin-1-iumyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3R)-pyrrolidin-1-ium-3-yl]indole-1-carboxylate Traditional Name: 3-[(3R)-pyrrolidin-1-ium-3-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)C3CC[NH2+]C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H]3CC[NH2+]C3

InChI

InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-11-14(12-8-9-18-10-12)13-6-4-5-7-15(13)19/h4-7,11-12,18H,8-10H2,1-3H3/p+1/t12-/m0/s1