(1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(1H-indol-3-yl)ethanol

Systemtic Name: (1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(1H-indol-3-yl)ethanol Openeye Name: (1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(1H-indol-3-yl)ethanol CAS Name: (1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-(1H-indol-3-yl)ethanol IUPAC Name: (1R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(1H-indol-3-yl)ethanol Traditional Name: (1R)-1-(1H-indol-3-yl)-2-(4-piperonylpiperazin-4-ium-1-yl)ethanol Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(C4=CNC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@@H](C4=CNC5=CC=CC=C54)O

InChI

InChI=1S/C22H25N3O3/c26-20(18-12-23-19-4-2-1-3-17(18)19)14-25-9-7-24(8-10-25)13-16-5-6-21-22(11-16)28-15-27-21/h1-6,11-12,20,23,26H,7-10,13-15H2/p+1/t20-/m0/s1