[(2S)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]pyrrolidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]pyrrolidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-2-pyrrolidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]pyrrolidin-1-ium-2-yl]methanol Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCCC3CO)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCC[C@H]3CO)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO3/c1-15-22(16-7-4-3-5-8-16)19-12-20(25-2)17(11-21(19)26-15)13-23-10-6-9-18(23)14-24/h3-5,7-8,11-12,18,24H,6,9-10,13-14H2,1-2H3/p+1/t18-/m0/s1