2-chloranyl-3-piperazin-4-ium-1-yl-naphthalene-1,4-dione chloride

Systemtic Name: 2-chloranyl-3-piperazin-4-ium-1-yl-naphthalene-1,4-dione chloride Openeye Name: 2-chloro-3-piperazin-4-ium-1-yl-naphthalene-1,4-dione chloride CAS Name: 2-chloro-3-(1-piperazin-4-iumyl)naphthalene-1,4-dione chloride IUPAC Name: 2-chloro-3-piperazin-4-ium-1-ylnaphthalene-1,4-dione chloride Traditional Name: 2-chloro-3-piperazin-4-ium-1-yl-1,4-naphthoquinone chloride Formula: C14H14Cl2N2O2 MolecularWeight: 313.17916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl.[Cl-]

InChI

InChI=1S/C14H13ClN2O2.ClH/c15-11-12(17-7-5-16-6-8-17)14(19)10-4-2-1-3-9(10)13(11)18;/h1-4,16H,5-8H2;1H