tert-butyl 1-(4-phenylbutanoyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-phenylbutanoyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-phenylbutanoyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(1-oxo-4-phenylbutyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-phenylbutanoyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-phenylbutanoyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C19H29N2O3/c1-19(2,3)24-18(23)21(14-12-20-13-15-21)17(22)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,20H,7,10-15H2,1-3H3/q+1