7-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-piperonylamide Formula: C18H20ClN2O4+ MolecularWeight: 363.8154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CO4

InChI

InChI=1S/C18H19ClN2O4/c19-13-8-12(9-16-17(13)25-11-24-16)18(22)20-10-14(15-4-3-7-23-15)21-5-1-2-6-21/h3-4,7-9,14H,1-2,5-6,10-11H2,(H,20,22)/p+1/t14-/m0/s1