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

Systemtic Name: [4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(5-aminopyridin-1-ium-2-yl)piperazino]-phenyl-methanone Formula: C16H19N4O+ MolecularWeight: 283.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O/c17-14-6-7-15(18-12-14)19-8-10-20(11-9-19)16(21)13-4-2-1-3-5-13/h1-7,12H,8-11,17H2/p+1