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

Systemtic Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-phenylethanol IUPAC Name: (1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-1-phenyl-2-(4-piperonylpiperazin-4-ium-1-yl)ethanol Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C20H24N2O3/c23-18(17-4-2-1-3-5-17)14-22-10-8-21(9-11-22)13-16-6-7-19-20(12-16)25-15-24-19/h1-7,12,18,23H,8-11,13-15H2/p+1/t18-/m1/s1