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

Systemtic Name: 2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[3-ethoxy-4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[3-ethoxy-4-(3-pyridinylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[3-ethoxy-4-(3-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

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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)OCC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-2-34-25-17-22(10-11-24(25)35-20-21-7-6-12-28-18-21)27(33)31-15-13-30(14-16-31)19-26(32)29-23-8-4-3-5-9-23/h3-12,17-18H,2,13-16,19-20H2,1H3,(H,29,32)/p+1