(4-piperazin-4-ium-1-ylphenyl)-pyridin-4-yl-methanone

Systemtic Name: (4-piperazin-4-ium-1-ylphenyl)-pyridin-4-yl-methanone Openeye Name: (4-piperazin-4-ium-1-ylphenyl)-(4-pyridyl)methanone CAS Name: [4-(1-piperazin-4-iumyl)phenyl]-pyridin-4-ylmethanone IUPAC Name: (4-piperazin-4-ium-1-ylphenyl)-pyridin-4-ylmethanone Traditional Name: (4-piperazin-4-ium-1-ylphenyl)-(4-pyridyl)methanone Formula: C16H18N3O+ MolecularWeight: 268.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H17N3O/c20-16(14-5-7-17-8-6-14)13-1-3-15(4-2-13)19-11-9-18-10-12-19/h1-8,18H,9-12H2/p+1