3-(1,4-diazepan-4-ium-1-yl)propanoate

Systemtic Name: 3-(1,4-diazepan-4-ium-1-yl)propanoate Openeye Name: 3-(1,4-diazepan-4-ium-1-yl)propanoate CAS Name: 3-(1,4-diazepan-4-ium-1-yl)propanoate IUPAC Name: 3-(1,4-diazepan-4-ium-1-yl)propanoate Traditional Name: 3-(1,4-diazepan-4-ium-1-yl)propionate Formula: C8H16N2O2 MolecularWeight: 172.22484

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CCC(=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)CCC(=O)[O-]

InChI

InChI=1S/C8H16N2O2/c11-8(12)2-6-10-5-1-3-9-4-7-10/h9H,1-7H2,(H,11,12)