(1S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C21H26N2O2/c24-20(18-4-2-1-3-5-18)16-23-11-9-22(10-12-23)15-17-6-7-21-19(14-17)8-13-25-21/h1-7,14,20,24H,8-13,15-16H2/p+1/t20-/m1/s1