[4-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butyl]-dimethyl-azanium

Systemtic Name: [4-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butyl]-dimethyl-azanium Openeye Name: [4-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxo-butyl]-dimethyl-ammonium CAS Name: [4-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxobutyl]-dimethylammonium IUPAC Name: [4-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutyl]-dimethylazanium Traditional Name: [4-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methylamino]-4-keto-butyl]-dimethyl-ammonium Formula: C19H24ClN4O2+ MolecularWeight: 375.87246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O2/c1-24(2)5-3-4-18(25)23-11-16-7-14-6-13(8-17(20)19(14)26-16)15-9-21-12-22-10-15/h6,8-10,12,16H,3-5,7,11H2,1-2H3,(H,23,25)/p+1/t16-/m1/s1