(E)-6-chloranyl-2-methyl-5-(pyridin-1-ium-4-ylamino)hex-4-en-3-one

Systemtic Name: (E)-6-chloranyl-2-methyl-5-(pyridin-1-ium-4-ylamino)hex-4-en-3-one Openeye Name: (E)-6-chloro-2-methyl-5-(pyridin-1-ium-4-ylamino)hex-4-en-3-one CAS Name: (E)-6-chloro-2-methyl-5-(4-pyridin-1-iumylamino)-4-hexen-3-one IUPAC Name: (E)-6-chloro-2-methyl-5-(pyridin-1-ium-4-ylamino)hex-4-en-3-one Traditional Name: (E)-6-chloro-2-methyl-5-(pyridin-1-ium-4-ylamino)hex-4-en-3-one Formula: C12H16ClN2O+ MolecularWeight: 239.72124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O/c1-9(2)12(16)7-11(8-13)15-10-3-5-14-6-4-10/h3-7,9H,8H2,1-2H3,(H,14,15)/p+1/b11-7+