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

Systemtic Name: (3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,6-dimethylbenzofuran-2-yl)-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,6-dimethyl-2-benzofuranyl)-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,6-dimethylbenzofuran-2-yl)-[4-[2-(4-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=NC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4)C

InChI

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