N-cyclopentyl-4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-cyclopentyl-4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-cyclopentyl-4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-cyclopentyl-4-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-hydroxy-2-methyl-3-benzofurancarboxamide IUPAC Name: N-cyclopentyl-4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: N-cyclopentyl-4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4CCCC4)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4CCCC4)O

InChI

InChI=1S/C23H32N2O3/c1-3-17-10-6-7-13-25(17)14-18-19(26)11-12-20-22(18)21(15(2)28-20)23(27)24-16-8-4-5-9-16/h11-12,16-17,26H,3-10,13-14H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1