1-[3-(1,3-benzodioxol-5-yl)-1-chloranyl-propylidene]pyrrolidin-1-ium chloride

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-1-chloranyl-propylidene]pyrrolidin-1-ium chloride Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-1-chloro-propylidene]pyrrolidin-1-ium chloride CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-1-chloropropylidene]pyrrolidin-1-ium chloride IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-1-chloropropylidene]pyrrolidin-1-ium chloride Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-1-chloro-propylidene]pyrrolidin-1-ium chloride Formula: C14H17Cl2NO2 MolecularWeight: 302.19628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(CCC2=CC3=C(C=C2)OCO3)Cl)C1.[Cl-]

Isomeric SMILES

C1CC[N+](=C(CCC2=CC3=C(C=C2)OCO3)Cl)C1.[Cl-]

InChI

InChI=1S/C14H17ClNO2.ClH/c15-14(16-7-1-2-8-16)6-4-11-3-5-12-13(9-11)18-10-17-12;/h3,5,9H,1-2,4,6-8,10H2;1H/q+1;/p-1