(7-chloranyl-3,5-dimethyl-1-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone

Systemtic Name: (7-chloranyl-3,5-dimethyl-1-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: (7-chloro-3,5-dimethyl-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: (7-chloro-3,5-dimethyl-2-benzofuranyl)-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: (7-chloro-3,5-dimethyl-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazino]methanone Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C4=CC(=CC(=C4O3)Cl)C)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C4=CC(=CC(=C4O3)Cl)C)C

InChI

InChI=1S/C21H22ClN3O2/c1-13-11-16-15(3)19(27-20(16)17(22)12-13)21(26)25-9-7-24(8-10-25)18-6-4-5-14(2)23-18/h4-6,11-12H,7-10H2,1-3H3/p+1