4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)butanoate

Systemtic Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)butanoate Openeye Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)butanoate CAS Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)butanoate IUPAC Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)butanoate Traditional Name: 4-(1-pyrrolin-1-ium-2-ylamino)butyrate Formula: C8H14N2O2 MolecularWeight: 170.20896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NCCCC(=O)[O-]

Isomeric SMILES

C1CC(=[NH+]C1)NCCCC(=O)[O-]

InChI

InChI=1S/C8H14N2O2/c11-8(12)4-2-6-10-7-3-1-5-9-7/h1-6H2,(H,9,10)(H,11,12)