N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-piperonylamide Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O3/c23-20(17-7-8-18-19(11-17)25-14-24-18)21-12-15-3-5-16(6-4-15)13-22-9-1-2-10-22/h3-8,11H,1-2,9-10,12-14H2,(H,21,23)/p+1