2-[(4S)-2-azanyl-3-cyano-4-(4-ethoxy-3-methoxy-phenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4S)-2-azanyl-3-cyano-4-(4-ethoxy-3-methoxy-phenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-2-amino-3-cyano-4-(4-ethoxy-3-methoxy-phenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-2-amino-3-cyano-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-2-amino-3-cyano-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-2-amino-3-cyano-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)N(C(=C3)C)CC[NH+](C)C)N)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(OC3=C2C(=O)N(C(=C3)C)CC[NH+](C)C)N)C#N)OC

InChI

InChI=1S/C23H28N4O4/c1-6-30-17-8-7-15(12-18(17)29-5)20-16(13-24)22(25)31-19-11-14(2)27(10-9-26(3)4)23(28)21(19)20/h7-8,11-12,20H,6,9-10,25H2,1-5H3/p+1/t20-/m0/s1