tert-butyl 5-azanyl-2,3-dimethyl-1-(2-methylpropyl)-2H-pyrrol-1-ium-4-carboxylate

Systemtic Name: tert-butyl 5-azanyl-2,3-dimethyl-1-(2-methylpropyl)-2H-pyrrol-1-ium-4-carboxylate Openeye Name: tert-butyl 5-amino-1-isobutyl-2,3-dimethyl-2H-pyrrol-1-ium-4-carboxylate CAS Name: 5-amino-2,3-dimethyl-1-(2-methylpropyl)-2H-pyrrol-1-ium-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2,3-dimethyl-1-(2-methylpropyl)-2H-pyrrol-1-ium-4-carboxylate Traditional Name: 5-amino-1-isobutyl-2,3-dimethyl-2H-pyrrol-1-ium-4-carboxylic acid tert-butyl ester Formula: C15H27N2O2+ MolecularWeight: 267.38708

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=[N+]1CC(C)C)N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1C(=C(C(=[N+]1CC(C)C)N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C15H26N2O2/c1-9(2)8-17-11(4)10(3)12(13(17)16)14(18)19-15(5,6)7/h9,11,16H,8H2,1-7H3/p+1