(1S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C21H26N2O3/c24-19(18-4-2-1-3-5-18)16-23-10-8-22(9-11-23)15-17-6-7-20-21(14-17)26-13-12-25-20/h1-7,14,19,24H,8-13,15-16H2/p+1/t19-/m1/s1