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

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dimethylbenzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dimethylbenzofuran-2-yl)-[4-(6-methylpyridin-1-ium-2-yl)piperazino]methanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C4=CC=CC(=[NH+]4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCN(CC3)C4=CC=CC(=[NH+]4)C

InChI

InChI=1S/C21H23N3O2/c1-14-7-8-18-17(13-14)16(3)20(26-18)21(25)24-11-9-23(10-12-24)19-6-4-5-15(2)22-19/h4-8,13H,9-12H2,1-3H3/p+1