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

Systemtic Name: tert-butyl (3E)-3-[[(2R)-pyrrolidin-1-ium-2-yl]methylidene]-2H-indole-1-carboxylate Openeye Name: tert-butyl (3E)-3-[[(2R)-pyrrolidin-1-ium-2-yl]methylene]indoline-1-carboxylate CAS Name: (3E)-3-[[(2R)-2-pyrrolidin-1-iumyl]methylidene]-2H-indole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-3-[[(2R)-pyrrolidin-1-ium-2-yl]methylidene]-2H-indole-1-carboxylate Traditional Name: (3E)-3-[[(2R)-pyrrolidin-1-ium-2-yl]methylene]indoline-1-carboxylic acid tert-butyl ester Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=CC2CCC[NH2+]2)C3=CC=CC=C31

Isomeric SMILES

CC(C)(C)OC(=O)N1C/C(=C/[C@H]2CCC[NH2+]2)/C3=CC=CC=C31

InChI

InChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-12-13(11-14-7-6-10-19-14)15-8-4-5-9-16(15)20/h4-5,8-9,11,14,19H,6-7,10,12H2,1-3H3/p+1/b13-11-/t14-/m1/s1