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

Systemtic Name: 2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[3-ethoxy-4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[[3-ethoxy-4-(3-pyridinylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[3-ethoxy-4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(3-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(=CC=C3)F)OCC4=CN=CC=C4

Isomeric SMILES

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

InChI

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