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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-fluoranyl-aniline Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-fluoro-aniline CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-fluoroaniline IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-fluoroaniline Traditional Name: [5-fluoro-2-(4-piperonylpiperazin-4-ium-1-yl)phenyl]amine Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O2/c19-14-2-3-16(15(20)10-14)22-7-5-21(6-8-22)11-13-1-4-17-18(9-13)24-12-23-17/h1-4,9-10H,5-8,11-12,20H2/p+1