2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C24H31FN3O4+ MolecularWeight: 444.519043

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H30FN3O4/c1-3-28(15-18-4-6-21(30-2)20(25)12-18)24(29)16-27-10-8-26(9-11-27)14-19-5-7-22-23(13-19)32-17-31-22/h4-7,12-13H,3,8-11,14-17H2,1-2H3/p+1