2,3-dihydro-1-benzofuran-5-ylmethyl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]azanium Traditional Name: coumaran-5-ylmethyl-[(3S)-5-keto-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CC(CC2=O)[NH2+]CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C[C@H](CC2=O)[NH2+]CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O3/c1-26-20-5-2-16(3-6-20)8-10-24-15-19(13-22(24)25)23-14-17-4-7-21-18(12-17)9-11-27-21/h2-7,12,19,23H,8-11,13-15H2,1H3/p+1/t19-/m0/s1