(6-chloranyl-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxidanylidene-1-prop-2-enyl-pyrrolidin-2-yl]ethyl]azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxidanylidene-1-prop-2-enyl-pyrrolidin-2-yl]ethyl]azanium Openeye Name: 2-[(2R)-1-allyl-5-oxo-pyrrolidin-2-yl]ethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxo-1-prop-2-enyl-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[2-[(2R)-5-oxo-1-prop-2-enylpyrrolidin-2-yl]ethyl]azanium Traditional Name: 2-[(2R)-1-allyl-5-keto-pyrrolidin-2-yl]ethyl-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(CCC1=O)CC[NH2+]CC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

C=CCN1[C@H](CCC1=O)CC[NH2+]CC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C17H21ClN2O3/c1-2-7-20-13(3-4-17(20)21)5-6-19-10-12-8-15-16(9-14(12)18)23-11-22-15/h2,8-9,13,19H,1,3-7,10-11H2/p+1/t13-/m1/s1