4-[(2R)-2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenecarbonitrile

Systemtic Name: 4-[(2R)-2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-yl]benzenecarbonitrile Openeye Name: 4-[(2R)-2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-2,3-dihydrobenzofuran-5-yl]benzonitrile CAS Name: 4-[(2R)-2-[2-[(2R)-2-methyl-1-pyrrolidin-1-iumyl]ethyl]-2,3-dihydrobenzofuran-5-yl]benzonitrile IUPAC Name: 4-[(2R)-2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-yl]benzonitrile Traditional Name: 4-[(2R)-2-[2-[(2R)-2-methylpyrrolidin-1-ium-1-yl]ethyl]coumaran-5-yl]benzonitrile Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+]1CCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H]1CCC[NH+]1CC[C@H]2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13,16,21H,2-3,10-12,14H2,1H3/p+1/t16-,21+/m1/s1