3-[azanyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]pentane-2,4-dione

Systemtic Name: 3-[azanyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]pentane-2,4-dione Openeye Name: 3-[amino-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylene]pentane-2,4-dione CAS Name: 3-[amino-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methylidene]pentane-2,4-dione IUPAC Name: 3-[amino-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]pentane-2,4-dione Traditional Name: 3-[amino-(4-pyridin-1-ium-2-ylpiperazino)methylene]pentane-2,4-dione Formula: C15H21N4O2+ MolecularWeight: 289.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N)N1CCN(CC1)C2=CC=CC=[NH+]2)C(=O)C

Isomeric SMILES

CC(=O)C(=C(N)N1CCN(CC1)C2=CC=CC=[NH+]2)C(=O)C

InChI

InChI=1S/C15H20N4O2/c1-11(20)14(12(2)21)15(16)19-9-7-18(8-10-19)13-5-3-4-6-17-13/h3-6H,7-10,16H2,1-2H3/p+1