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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)phenol Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4O

InChI

InChI=1S/C18H20N2O3/c21-16-4-2-1-3-15(16)20-9-7-19(8-10-20)12-14-5-6-17-18(11-14)23-13-22-17/h1-6,11,21H,7-10,12-13H2/p+1