(6-chloranylpyridin-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranylpyridin-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (6-chloro-3-pyridyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (6-chloro-3-pyridinyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloropyridin-3-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (6-chloro-3-pyridyl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3O2/c20-18-4-2-16(12-21-18)19(24)23-8-6-22(7-9-23)13-14-1-3-17-15(11-14)5-10-25-17/h1-4,11-12H,5-10,13H2/p+1