tert-butyl 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)piperidine-1-carboxylate CAS Name: 4-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)piperidine-1-carboxylate Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H32N3O3+ MolecularWeight: 326.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-10-6-14(7-11-20)15(21)19-9-5-8-18(4)12-13-19/h14H,5-13H2,1-4H3/p+1