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

Systemtic Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanoate Openeye Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanoate CAS Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanoate IUPAC Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propanoate Traditional Name: (2S)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)propionate Formula: C9H19N2O2+ MolecularWeight: 187.25936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O2/c1-8(9(12)13)11-5-3-4-10(2)6-7-11/h8H,3-7H2,1-2H3,(H,12,13)/p+1/t8-/m0/s1