6-[[2-[2,6-bis(azepan-1-yl)pyrimidin-1-ium-4-yl]hydrazinyl]methylidene]-4-bromanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[2,6-bis(azepan-1-yl)pyrimidin-1-ium-4-yl]hydrazinyl]methylidene]-4-bromanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[2,6-bis(azepan-1-yl)pyrimidin-1-ium-4-yl]hydrazino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2,6-bis(1-azepanyl)-4-pyrimidin-1-iumyl]hydrazo]methylidene]-4-bromo-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[2,6-bis(azepan-1-yl)pyrimidin-1-ium-4-yl]hydrazinyl]methylidene]-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-[2,6-bis(azepan-1-yl)pyrimidin-1-ium-4-yl]hydrazino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C23H32BrN6O+ MolecularWeight: 488.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C(=NC(=C2)NNC=C3C=C(C=CC3=O)Br)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C(=NC(=C2)NNC=C3C=C(C=CC3=O)Br)N4CCCCCC4

InChI

InChI=1S/C23H31BrN6O/c24-19-9-10-20(31)18(15-19)17-25-28-21-16-22(29-11-5-1-2-6-12-29)27-23(26-21)30-13-7-3-4-8-14-30/h9-10,15-17,25H,1-8,11-14H2,(H,26,27,28)/p+1