2-[(4R)-2-azanyl-3-methoxycarbonyl-4-(3-methoxyphenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4R)-2-azanyl-3-methoxycarbonyl-4-(3-methoxyphenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4R)-2-amino-3-methoxycarbonyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4R)-2-amino-3-methoxycarbonyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4R)-2-amino-3-methoxycarbonyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4R)-2-amino-3-carbomethoxy-5-keto-4-(3-methoxyphenyl)-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=CC=C3)OC)C(=O)N1CC[NH+](C)C

Isomeric SMILES

CC1=CC2=C([C@H](C(=C(O2)N)C(=O)OC)C3=CC(=CC=C3)OC)C(=O)N1CC[NH+](C)C

InChI

InChI=1S/C22H27N3O5/c1-13-11-16-18(21(26)25(13)10-9-24(2)3)17(14-7-6-8-15(12-14)28-4)19(20(23)30-16)22(27)29-5/h6-8,11-12,17H,9-10,23H2,1-5H3/p+1/t17-/m1/s1