2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanoate

Systemtic Name: 2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanoate Openeye Name: 2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)acetate CAS Name: 2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)acetate IUPAC Name: 2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)acetate Traditional Name: 2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)acetate Formula: C8H14N2O2 MolecularWeight: 170.20896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCC(=O)[O-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NCC(=O)[O-]

InChI

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