2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: N-cyclopropyl-N-(2-fluorobenzyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C24H29FN3O3+ MolecularWeight: 426.503763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28FN3O3/c25-21-4-2-1-3-19(21)15-28(20-6-7-20)24(29)16-27-11-9-26(10-12-27)14-18-5-8-22-23(13-18)31-17-30-22/h1-5,8,13,20H,6-7,9-12,14-17H2/p+1