tert-butyl 1-butyl-4-quinolin-8-ylcarbonyl-piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-butyl-4-quinolin-8-ylcarbonyl-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-butyl-4-(quinoline-8-carbonyl)piperazin-1-ium-1-carboxylate CAS Name: 1-butyl-4-[oxo(8-quinolinyl)methyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butyl-4-(quinoline-8-carbonyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-butyl-4-(quinoline-8-carbonyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=C2N=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=C2N=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N3O3/c1-5-6-15-26(22(28)29-23(2,3)4)16-13-25(14-17-26)21(27)19-11-7-9-18-10-8-12-24-20(18)19/h7-12H,5-6,13-17H2,1-4H3/q+1