(3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methylbenzofuran-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C21H23N3O2/c1-16-18-7-2-3-8-19(18)26-20(16)21(25)24-14-12-23(13-15-24)11-9-17-6-4-5-10-22-17/h2-8,10H,9,11-15H2,1H3/p+1