(6-chloranylpyridin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C16H18ClN4O+ MolecularWeight: 317.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C16H17ClN4O/c17-15-2-1-14(11-19-15)16(22)21-9-7-20(8-10-21)12-13-3-5-18-6-4-13/h1-6,11H,7-10,12H2/p+1