4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-pyridin-1-ium-2-ylpiperazino)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H19N4O+ MolecularWeight: 283.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)NC=C3C=CC(=O)C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C16H18N4O/c21-15-6-4-14(5-7-15)13-18-20-11-9-19(10-12-20)16-3-1-2-8-17-16/h1-8,13,18H,9-12H2/p+1