2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]ethanamide

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]ethanamide Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]acetamide CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]acetamide Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]acetamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC3=CN=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H28N4O2/c1-16-4-6-20-19(15-29-23(20)17(16)2)12-22(28)25-14-18-5-7-21(24-13-18)27-10-8-26(3)9-11-27/h4-7,13,15H,8-12,14H2,1-3H3,(H,25,28)/p+1