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

Systemtic Name: [3-(cyclopentylcarbamoyl)-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dipropyl-azanium Openeye Name: [3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dipropyl-ammonium CAS Name: [3-[(cyclopentylamino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-dipropylammonium IUPAC Name: [3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-dipropylazanium Traditional Name: [3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dipropyl-ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)NC3CCCC3)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)NC3CCCC3)O

InChI

InChI=1S/C22H32N2O3/c1-4-12-24(13-5-2)14-17-18(25)10-11-19-21(17)20(15(3)27-19)22(26)23-16-8-6-7-9-16/h10-11,16,25H,4-9,12-14H2,1-3H3,(H,23,26)/p+1