3-[(4R)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium

Systemtic Name: 3-[(4R)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium Openeye Name: 3-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium CAS Name: 3-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylammonium IUPAC Name: 3-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylazanium Traditional Name: 3-[(4R)-2-amino-3-cyano-5-keto-7-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C26H35N4O5+ MolecularWeight: 483.5799

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)[C@@H](C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C26H34N4O5/c1-7-29(8-2)10-9-11-30-16(3)12-19-23(26(30)31)22(18(15-27)25(28)35-19)17-13-20(32-4)24(34-6)21(14-17)33-5/h12-14,22H,7-11,28H2,1-6H3/p+1/t22-/m1/s1