N-cyclopropyl-2-[4-[3-[(4-fluorophenyl)methoxy]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-[(4-fluorophenyl)methoxy]phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[3-[(4-fluorophenyl)methoxy]phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(4-fluorobenzyl)oxybenzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O3/c24-19-6-4-17(5-7-19)16-30-21-3-1-2-18(14-21)23(29)27-12-10-26(11-13-27)15-22(28)25-20-8-9-20/h1-7,14,20H,8-13,15-16H2,(H,25,28)/p+1