(5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-methoxy-3-methyl-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-methoxy-3-methyl-2-benzofuranyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-methoxy-3-methyl-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N3O3/c1-14-16-13-15(25-2)6-7-17(16)26-19(14)20(24)23-11-9-22(10-12-23)18-5-3-4-8-21-18/h3-8,13H,9-12H2,1-2H3/p+1