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

Systemtic Name: (4S)-2-azanyl-7-methyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile Openeye Name: (4S)-2-amino-7-methyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-4-(3-pyridyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile CAS Name: (4S)-2-amino-7-methyl-6-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile IUPAC Name: (4S)-2-amino-7-methyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-7-methyl-6-(3-morpholin-4-ium-4-ylpropyl)-4-(3-pyridyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)N1CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C([C@H](C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)N1CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N5O3/c1-15-12-18-20(22(28)27(15)7-3-6-26-8-10-29-11-9-26)19(16-4-2-5-25-14-16)17(13-23)21(24)30-18/h2,4-5,12,14,19H,3,6-11,24H2,1H3/p+1/t19-/m0/s1