2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R)-5-keto-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CC(CC2=O)[NH2+]CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C[C@@H](CC2=O)[NH2+]CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O4/c1-26-19-5-2-16(3-6-19)8-9-24-15-18(13-22(24)25)23-14-17-4-7-20-21(12-17)28-11-10-27-20/h2-7,12,18,23H,8-11,13-15H2,1H3/p+1/t18-/m1/s1