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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4)C)C

InChI

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