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

Systemtic Name: 7-chloranyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-piperonylamide Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c21-17-9-16(10-18-19(17)26-13-25-18)20(24)22-11-14-3-5-15(6-4-14)12-23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-13H2,(H,22,24)/p+1