diethyl-[(3S)-1-[(3,6,7-trimethyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[(3,6,7-trimethyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-(3,6,7-trimethylbenzofuran-2-carbonyl)pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[oxo-(3,6,7-trimethyl-2-benzofuranyl)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-(3,6,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-(3,6,7-trimethylbenzofuran-2-carbonyl)pyrrolidin-3-yl]ammonium Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=C(C3=C(O2)C(=C(C=C3)C)C)C

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=C(C3=C(O2)C(=C(C=C3)C)C)C

InChI

InChI=1S/C20H28N2O2/c1-6-21(7-2)16-10-11-22(12-16)20(23)19-15(5)17-9-8-13(3)14(4)18(17)24-19/h8-9,16H,6-7,10-12H2,1-5H3/p+1/t16-/m0/s1