[3-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-3-oxidanylidene-propyl]-diethyl-azanium

Systemtic Name: [3-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-3-oxidanylidene-propyl]-diethyl-azanium Openeye Name: [3-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methylamino]-3-oxo-propyl]-diethyl-ammonium CAS Name: [3-[[(2R)-5-chloro-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-3-oxopropyl]-diethylammonium IUPAC Name: [3-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-3-oxopropyl]-diethylazanium Traditional Name: [3-[[(2R)-5-chloro-7-(2-pyrimidyl)coumaran-2-yl]methylamino]-3-keto-propyl]-diethyl-ammonium Formula: C20H26ClN4O2+ MolecularWeight: 389.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(=O)NCC1CC2=C(O1)C(=CC(=C2)Cl)C3=NC=CC=N3

Isomeric SMILES

CC[NH+](CC)CCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)Cl)C3=NC=CC=N3

InChI

InChI=1S/C20H25ClN4O2/c1-3-25(4-2)9-6-18(26)24-13-16-11-14-10-15(21)12-17(19(14)27-16)20-22-7-5-8-23-20/h5,7-8,10,12,16H,3-4,6,9,11,13H2,1-2H3,(H,24,26)/p+1/t16-/m1/s1