3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[1-(4-methyl-1-piperazin-4-iumyl)cyclohexyl]methyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methyl]coumarilamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCC3(CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NCC3(CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H31N3O2/c1-17-18-8-4-5-9-19(18)27-20(17)21(26)23-16-22(10-6-3-7-11-22)25-14-12-24(2)13-15-25/h4-5,8-9H,3,6-7,10-16H2,1-2H3,(H,23,26)/p+1