N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-N-(2-fluorobenzyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H26FN3O2/c23-19-6-2-1-5-17(19)15-26(18-9-10-18)22(28)16-24-11-13-25(14-12-24)20-7-3-4-8-21(20)27/h1-8,18,27H,9-16H2/p+1