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

Systemtic Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium-2-yl]methanol Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCCCC3CO)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3/c1-16-23(17-8-4-3-5-9-17)20-13-21(26-2)18(12-22(20)27-16)14-24-11-7-6-10-19(24)15-25/h3-5,8-9,12-13,19,25H,6-7,10-11,14-15H2,1-2H3/p+1/t19-/m0/s1