ethyl (4R)-6-azanyl-5-cyano-2-methyl-4-(6-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4R)-6-azanyl-5-cyano-2-methyl-4-(6-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-5-cyano-2-methyl-4-[6-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-5-cyano-2-methyl-4-[6-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-5-cyano-2-methyl-4-(6-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-5-cyano-2-methyl-4-(6-methyl-2-piperidino-quinolin-1-ium-3-yl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C([NH+]=C3C=CC(=CC3=C2)C)N4CCCCC4)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@H]1C2=C([NH+]=C3C=CC(=CC3=C2)C)N4CCCCC4)C#N)N)C

InChI

InChI=1S/C25H28N4O3/c1-4-31-25(30)21-16(3)32-23(27)19(14-26)22(21)18-13-17-12-15(2)8-9-20(17)28-24(18)29-10-6-5-7-11-29/h8-9,12-13,22H,4-7,10-11,27H2,1-3H3/p+1/t22-/m1/s1