tert-butyl 2-butyl-3-methyl-3-(phenylmethoxycarbonylamino)-2H-imidazol-3-ium-1-carboxylate

Systemtic Name: tert-butyl 2-butyl-3-methyl-3-(phenylmethoxycarbonylamino)-2H-imidazol-3-ium-1-carboxylate Openeye Name: tert-butyl 3-(benzyloxycarbonylamino)-2-butyl-3-methyl-2H-imidazol-3-ium-1-carboxylate CAS Name: 2-butyl-3-methyl-3-(phenylmethoxycarbonylamino)-2H-imidazol-3-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-butyl-3-methyl-3-(phenylmethoxycarbonylamino)-2H-imidazol-3-ium-1-carboxylate Traditional Name: 3-(benzyloxycarbonylamino)-2-butyl-3-methyl-4-imidazolin-3-ium-1-carboxylic acid tert-butyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C[N+]1(C)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1N(C=C[N+]1(C)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-6-7-13-18-23(20(26)28-21(2,3)4)14-15-24(18,5)22-19(25)27-16-17-11-9-8-10-12-17/h8-12,14-15,18H,6-7,13,16H2,1-5H3/p+1