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

Systemtic Name: tert-butyl 1-butyl-4-(cyclopropylmethyl)-3-oxidanylidene-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-butyl-4-(cyclopropylmethyl)-3-oxo-piperazin-1-ium-1-carboxylate CAS Name: 1-butyl-4-(cyclopropylmethyl)-3-oxo-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butyl-4-(cyclopropylmethyl)-3-oxopiperazin-1-ium-1-carboxylate Traditional Name: 1-butyl-4-(cyclopropylmethyl)-3-keto-piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H31N2O3+ MolecularWeight: 311.43964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(C(=O)C1)CC2CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[N+]1(CCN(C(=O)C1)CC2CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H31N2O3/c1-5-6-10-19(16(21)22-17(2,3)4)11-9-18(15(20)13-19)12-14-7-8-14/h14H,5-13H2,1-4H3/q+1