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

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethylbenzofuran-2-yl)-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[4-[(3-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethylbenzofuran-2-yl)-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=N4)C

InChI

InChI=1S/C22H25N3O2/c1-15-6-7-20-18(13-15)17(3)21(27-20)22(26)25-11-9-24(10-12-25)14-19-16(2)5-4-8-23-19/h4-8,13H,9-12,14H2,1-3H3/p+1