2-chloranyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)naphthalene-1,4-dione Openeye Name: 2-chloro-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)naphthalene-1,4-dione Traditional Name: 2-chloro-3-(4-pyridin-1-ium-2-ylpiperazino)-1,4-naphthoquinone Formula: C19H17ClN3O2+ MolecularWeight: 354.81018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C19H16ClN3O2/c20-16-17(19(25)14-6-2-1-5-13(14)18(16)24)23-11-9-22(10-12-23)15-7-3-4-8-21-15/h1-8H,9-12H2/p+1