3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide

Systemtic Name: 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide Openeye Name: 3-[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: 3-[(3R)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-N-(4-methoxy-2-methylphenyl)propanamide IUPAC Name: 3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide Traditional Name: 3-[(3R)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H30N2O3/c1-18-14-21(29-2)10-11-23(18)26-25(28)12-9-19-6-5-13-27(16-19)17-22-15-20-7-3-4-8-24(20)30-22/h3-4,7-8,10-11,14-15,19H,5-6,9,12-13,16-17H2,1-2H3,(H,26,28)/p+1/t19-/m1/s1