2-methylpropyl 1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: 2-methylpropyl 1,4-diazepan-4-ium-1-carboxylate Openeye Name: isobutyl 1,4-diazepan-4-ium-1-carboxylate CAS Name: 1,4-diazepan-4-ium-1-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 1,4-diazepan-4-ium-1-carboxylate Traditional Name: 1,4-diazepan-4-ium-1-carboxylic acid isobutyl ester Formula: C10H21N2O2+ MolecularWeight: 201.28594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CC(C)COC(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C10H20N2O2/c1-9(2)8-14-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3/p+1