[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]-(3,6,7-trimethylbenzofuran-2-yl)methanone CAS Name: [4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]-(3,6,7-trimethyl-2-benzofuranyl)methanone IUPAC Name: [4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone Traditional Name: [4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]-(3,6,7-trimethylbenzofuran-2-yl)methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C)C

InChI

InChI=1S/C23H27N3O2/c1-16-7-8-20-18(3)22(28-21(20)17(16)2)23(27)26-14-12-25(13-15-26)11-9-19-6-4-5-10-24-19/h4-8,10H,9,11-15H2,1-3H3/p+1