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

Systemtic Name: [3-(cyclopentylcarbamoyl)-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-ethyl-ammonium CAS Name: [3-[(cyclopentylamino)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-(cyclopentylcarbamoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl]-ethyl-ammonium Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4CCCC4)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4CCCC4)O

InChI

InChI=1S/C25H30N2O3/c1-3-27(15-18-9-5-4-6-10-18)16-20-21(28)13-14-22-24(20)23(17(2)30-22)25(29)26-19-11-7-8-12-19/h4-6,9-10,13-14,19,28H,3,7-8,11-12,15-16H2,1-2H3,(H,26,29)/p+1