2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C25H30N5O5+ MolecularWeight: 480.5362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O5/c1-3-33-22-15-20(4-5-21(22)34-17-19-6-8-26-9-7-19)25(32)30-12-10-29(11-13-30)16-24(31)27-23-14-18(2)35-28-23/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,27,28,31)/p+1