(3-methyl-5-propyl-1-benzofuran-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-5-propyl-1-benzofuran-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methyl-5-propyl-benzofuran-2-yl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-5-propyl-2-benzofuranyl)-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-5-propyl-1-benzofuran-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methyl-5-propyl-benzofuran-2-yl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CC[NH+](CC3)CC4=CN=CC=C4

InChI

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