N-cyclohexyl-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-cyclohexyl-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-cyclohexyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: N-cyclohexyl-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofurancarboxamide IUPAC Name: N-cyclohexyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: N-cyclohexyl-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-carboxamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2CN3CC[NH+](CC3)C)O)C(=O)NC4CCCCC4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2CN3CC[NH+](CC3)C)O)C(=O)NC4CCCCC4

InChI

InChI=1S/C22H31N3O3/c1-15-20(22(27)23-16-6-4-3-5-7-16)21-17(18(26)8-9-19(21)28-15)14-25-12-10-24(2)11-13-25/h8-9,16,26H,3-7,10-14H2,1-2H3,(H,23,27)/p+1