methyl (4S)-2-azanyl-7-methyl-6-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate

Systemtic Name: methyl (4S)-2-azanyl-7-methyl-6-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate Openeye Name: methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ium-4-ylethyl)-5-oxo-4-(3-pyridyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate CAS Name: (4S)-2-amino-7-methyl-6-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-7-methyl-6-(2-morpholin-4-ium-4-ylethyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-7-methyl-6-(2-morpholin-4-ium-4-ylethyl)-4-(3-pyridyl)-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester Formula: C22H27N4O5+ MolecularWeight: 427.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CN=CC=C3)C(=O)N1CC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C([C@@H](C(=C(O2)N)C(=O)OC)C3=CN=CC=C3)C(=O)N1CC[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O5/c1-14-12-16-18(21(27)26(14)7-6-25-8-10-30-11-9-25)17(15-4-3-5-24-13-15)19(20(23)31-16)22(28)29-2/h3-5,12-13,17H,6-11,23H2,1-2H3/p+1/t17-/m0/s1