tert-butyl 1-butyl-3-oxidanylidene-4-(phenylmethyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-butyl-3-oxidanylidene-4-(phenylmethyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-benzyl-1-butyl-3-oxo-piperazin-1-ium-1-carboxylate CAS Name: 1-butyl-3-oxo-4-(phenylmethyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-1-butyl-3-oxopiperazin-1-ium-1-carboxylate Traditional Name: 4-benzyl-1-butyl-3-keto-piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(C(=O)C1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[N+]1(CCN(C(=O)C1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N2O3/c1-5-6-13-22(19(24)25-20(2,3)4)14-12-21(18(23)16-22)15-17-10-8-7-9-11-17/h7-11H,5-6,12-16H2,1-4H3/q+1