3-[(4S)-2-azanyl-3-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium

Systemtic Name: 3-[(4S)-2-azanyl-3-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-azanium Openeye Name: 3-[(4S)-2-amino-3-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium CAS Name: 3-[(4S)-2-amino-3-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylammonium IUPAC Name: 3-[(4S)-2-amino-3-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethylazanium Traditional Name: 3-[(4S)-2-amino-3-cyano-5-keto-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-4H-pyrano[3,2-c]pyridin-6-yl]propyl-diethyl-ammonium Formula: C25H31N4O5+ MolecularWeight: 467.53744

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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=CC4=C(C(=C3)OC)OCO4)C

Isomeric SMILES

CC[NH+](CC)CCCN1C(=CC2=C(C1=O)[C@H](C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4)C

InChI

InChI=1S/C25H30N4O5/c1-5-28(6-2)8-7-9-29-15(3)10-18-22(25(29)30)21(17(13-26)24(27)34-18)16-11-19(31-4)23-20(12-16)32-14-33-23/h10-12,21H,5-9,14,27H2,1-4H3/p+1/t21-/m0/s1