[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone Openeye Name: [4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]-(3,5,6-trimethylbenzofuran-2-yl)methanone CAS Name: [4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]-(3,5,6-trimethyl-2-benzofuranyl)methanone IUPAC Name: [4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone Traditional Name: [4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]-(3,5,6-trimethylbenzofuran-2-yl)methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C)C

InChI

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