[3-(cyclopentylcarbamoyl)-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-(cyclopentylcarbamoyl)-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-[(cyclopentylamino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+](C)C3CC[NH+](CC3)C)O)C(=O)NC4CCCC4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+](C)C3CC[NH+](CC3)C)O)C(=O)NC4CCCC4

InChI

InChI=1S/C23H33N3O3/c1-15-21(23(28)24-16-6-4-5-7-16)22-18(19(27)8-9-20(22)29-15)14-26(3)17-10-12-25(2)13-11-17/h8-9,16-17,27H,4-7,10-14H2,1-3H3,(H,24,28)/p+2