5-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-oxidanylidene-pentanoate

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-oxidanylidene-pentanoate Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-oxo-pentanoate CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-oxopentanoate IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-oxopentanoate Traditional Name: 5-keto-5-(4-methyl-1,4-diazepan-4-ium-1-yl)valerate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C11H20N2O3/c1-12-6-3-7-13(9-8-12)10(14)4-2-5-11(15)16/h2-9H2,1H3,(H,15,16)