(2R)-2-ethyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium

Systemtic Name: (2R)-2-ethyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium Openeye Name: (2R)-2-ethyl-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium CAS Name: (2R)-2-ethyl-1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]piperidin-1-ium IUPAC Name: (2R)-2-ethyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium Traditional Name: (2R)-2-ethyl-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium Formula: C24H30NO2+ MolecularWeight: 364.5005

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C24H29NO2/c1-4-20-12-8-9-13-25(20)16-19-14-23-21(15-22(19)26-3)24(17(2)27-23)18-10-6-5-7-11-18/h5-7,10-11,14-15,20H,4,8-9,12-13,16H2,1-3H3/p+1/t20-/m1/s1