2,6-bis(iodanyl)-4-[[(4-piperazin-4-ium-1-ylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-bis(iodanyl)-4-[[(4-piperazin-4-ium-1-ylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-diiodo-4-[(4-piperazin-4-ium-1-ylanilino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-diiodo-4-[[4-(1-piperazin-4-iumyl)anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-diiodo-4-[(4-piperazin-4-ium-1-ylanilino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-diiodo-4-[(4-piperazin-4-ium-1-ylanilino)methylene]cyclohexa-2,5-dien-1-one Formula: C17H18I2N3O+ MolecularWeight: 534.15326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)NC=C3C=C(C(=O)C(=C3)I)I

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)NC=C3C=C(C(=O)C(=C3)I)I

InChI

InChI=1S/C17H17I2N3O/c18-15-9-12(10-16(19)17(15)23)11-21-13-1-3-14(4-2-13)22-7-5-20-6-8-22/h1-4,9-11,20-21H,5-8H2/p+1