(2S)-3-methyl-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)butanoate

Systemtic Name: (2S)-3-methyl-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)butanoate Openeye Name: (2S)-3-methyl-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)butanoate CAS Name: (2S)-3-methyl-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)butanoate IUPAC Name: (2S)-3-methyl-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)butanoate Traditional Name: (2S)-3-methyl-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)butyrate Formula: C11H23N2O2+ MolecularWeight: 215.31252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCC[NH+](CC1)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCC[NH+](CC1)C

InChI

InChI=1S/C11H22N2O2/c1-9(2)10(11(14)15)13-6-4-5-12(3)7-8-13/h9-10H,4-8H2,1-3H3,(H,14,15)/p+1/t10-/m0/s1