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

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-(2-fluorobenzyl)acetamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O/c25-23-4-2-1-3-21(23)17-29(22-9-10-22)24(30)18-28-13-11-27(12-14-28)16-20-7-5-19(15-26)6-8-20/h1-8,22H,9-14,16-18H2/p+1