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

Systemtic Name: 2-[(4S)-2-azanyl-3-cyano-4-(3,4-diethoxyphenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylammonium IUPAC Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium Traditional Name: 2-[(4S)-2-amino-3-cyano-4-(3,4-diethoxyphenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethyl-ammonium Formula: C24H31N4O4+ MolecularWeight: 439.52734

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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)OCC

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)OCC

InChI

InChI=1S/C24H30N4O4/c1-6-30-18-9-8-16(13-19(18)31-7-2)21-17(14-25)23(26)32-20-12-15(3)28(11-10-27(4)5)24(29)22(20)21/h8-9,12-13,21H,6-7,10-11,26H2,1-5H3/p+1/t21-/m0/s1