[(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCCC(C3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=C2)C[NH+]3CCC[C@@](C3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H31NO3/c1-28-23-8-9-24-22(15-23)14-21(17-29-24)16-26-13-5-11-25(18-26,19-27)12-10-20-6-3-2-4-7-20/h2-4,6-9,14-15,27H,5,10-13,16-19H2,1H3/p+1/t25-/m0/s1