2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[3-ethoxy-4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[3-ethoxy-4-(3-pyridinylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[3-ethoxy-4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C27H30FN4O4+ MolecularWeight: 493.549903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)OCC4=CN=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)OCC4=CN=CC=C4

InChI

InChI=1S/C27H29FN4O4/c1-2-35-25-16-21(5-10-24(25)36-19-20-4-3-11-29-17-20)27(34)32-14-12-31(13-15-32)18-26(33)30-23-8-6-22(28)7-9-23/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,30,33)/p+1