(E)-1-chloranyl-2-(pyridin-1-ium-4-ylamino)hept-2-en-4-one

Systemtic Name: (E)-1-chloranyl-2-(pyridin-1-ium-4-ylamino)hept-2-en-4-one Openeye Name: (E)-1-chloro-2-(pyridin-1-ium-4-ylamino)hept-2-en-4-one CAS Name: (E)-1-chloro-2-(4-pyridin-1-iumylamino)-2-hepten-4-one IUPAC Name: (E)-1-chloro-2-(pyridin-1-ium-4-ylamino)hept-2-en-4-one Traditional Name: (E)-1-chloro-2-(pyridin-1-ium-4-ylamino)hept-2-en-4-one Formula: C12H16ClN2O+ MolecularWeight: 239.72124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=C(CCl)NC1=CC=[NH+]C=C1

Isomeric SMILES

CCCC(=O)/C=C(\CCl)/NC1=CC=[NH+]C=C1

InChI

InChI=1S/C12H15ClN2O/c1-2-3-12(16)8-11(9-13)15-10-4-6-14-7-5-10/h4-8H,2-3,9H2,1H3,(H,14,15)/p+1/b11-8+