1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazino]-2-phenyl-ethanone Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)N)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O/c18-15-6-7-16(19-13-15)20-8-10-21(11-9-20)17(22)12-14-4-2-1-3-5-14/h1-7,13H,8-12,18H2/p+1