4-bromanyl-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[(4-pyridin-1-ium-2-ylpiperazino)amino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H18BrN4O+ MolecularWeight: 362.24432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)NC=C3C=C(C=CC3=O)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)NC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C16H17BrN4O/c17-14-4-5-15(22)13(11-14)12-19-21-9-7-20(8-10-21)16-3-1-2-6-18-16/h1-6,11-12,19H,7-10H2/p+1