sodium; tert-butyl 3-oxidanylidene-4-(3-phenylpropyl)piperazine-1-carboxylate; hydride

Systemtic Name: sodium; tert-butyl 3-oxidanylidene-4-(3-phenylpropyl)piperazine-1-carboxylate; hydride Openeye Name: sodium; tert-butyl 3-oxo-4-(3-phenylpropyl)piperazine-1-carboxylate; hydride CAS Name: sodium; hydride; 3-oxo-4-(3-phenylpropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: sodium; tert-butyl 3-oxo-4-(3-phenylpropyl)piperazine-1-carboxylate; hydride Traditional Name: sodium; hydride; 3-keto-4-(3-phenylpropyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N2NaO3 MolecularWeight: 342.40835

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Descriptors Computed from Structure

Canonical SMILES:

[H-].CC(C)(C)OC(=O)N1CCN(C(=O)C1)CCCC2=CC=CC=C2.[Na+]

Isomeric SMILES

[H-].CC(C)(C)OC(=O)N1CCN(C(=O)C1)CCCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H26N2O3.Na.H/c1-18(2,3)23-17(22)20-13-12-19(16(21)14-20)11-7-10-15-8-5-4-6-9-15;;/h4-6,8-9H,7,10-14H2,1-3H3;;/q;+1;-1