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

Systemtic Name: (3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,6-dimethylbenzofuran-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,6-dimethyl-2-benzofuranyl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,6-dimethylbenzofuran-2-yl)-[4-[2-(2-pyridyl)ethyl]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)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C

InChI

InChI=1S/C22H25N3O2/c1-16-6-7-19-17(2)21(27-20(19)15-16)22(26)25-13-11-24(12-14-25)10-8-18-5-3-4-9-23-18/h3-7,9,15H,8,10-14H2,1-2H3/p+1