N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-N-(2-fluorobenzyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3F)C4CC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N(CC3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C23H28FN3O2/c1-29-21-7-4-6-20(15-21)26-13-11-25(12-14-26)17-23(28)27(19-9-10-19)16-18-5-2-3-8-22(18)24/h2-8,15,19H,9-14,16-17H2,1H3/p+1