N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)oxazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 5-phenyl-N-piperonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)oxazole-4-carboxamide Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(OC=N4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(OC=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N3O4/c28-24(22-23(29-16-25-22)19-6-2-1-3-7-19)27(13-12-26-10-4-5-11-26)15-18-8-9-20-21(14-18)31-17-30-20/h1-3,6-9,14,16H,4-5,10-13,15,17H2/p+1