3-[4-(2-azanylethyl)phenyl]-1-ethyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[4-(2-azanylethyl)phenyl]-1-ethyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[4-(2-aminoethyl)phenyl]-1-ethyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[4-(2-aminoethyl)phenyl]-1-ethyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[4-(2-aminoethyl)phenyl]-1-ethyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[4-(2-aminoethyl)phenyl]-1-ethyl-3H-pyridazin-1-ium-6-one Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)CCN

Isomeric SMILES

CC[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)CCN

InChI

InChI=1S/C14H18N3O/c1-2-17-14(18)8-7-13(16-17)12-5-3-11(4-6-12)9-10-15/h3-8,13H,2,9-10,15H2,1H3/q+1