5-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]coumarilamide Formula: C29H35N2O4+ MolecularWeight: 475.5992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5CCCO5)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NC[C@H]5CCCO5)O

InChI

InChI=1S/C29H34N2O4/c1-21(16-22-6-3-2-4-7-22)20-31-13-11-29(33,12-14-31)24-9-10-26-23(17-24)18-27(35-26)28(32)30-19-25-8-5-15-34-25/h2-4,6-7,9-10,16-18,25,33H,5,8,11-15,19-20H2,1H3,(H,30,32)/p+1/b21-16+/t25-/m1/s1