(3R)-3-(pyridin-1-ium-2-ylamino)azepan-2-one

Systemtic Name: (3R)-3-(pyridin-1-ium-2-ylamino)azepan-2-one Openeye Name: (3R)-3-(pyridin-1-ium-2-ylamino)azepan-2-one CAS Name: (3R)-3-(2-pyridin-1-iumylamino)-2-azepanone IUPAC Name: (3R)-3-(pyridin-1-ium-2-ylamino)azepan-2-one Traditional Name: (3R)-3-(pyridin-1-ium-2-ylamino)azepan-2-one Formula: C11H16N3O+ MolecularWeight: 206.26424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC=CC=[NH+]2

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC2=CC=CC=[NH+]2

InChI

InChI=1S/C11H15N3O/c15-11-9(5-1-3-8-13-11)14-10-6-2-4-7-12-10/h2,4,6-7,9H,1,3,5,8H2,(H,12,14)(H,13,15)/p+1/t9-/m1/s1