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

Systemtic Name: ethyl (4R)-6-azanyl-2-(chloromethyl)-5-cyano-4-(6-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-2-(chloromethyl)-5-cyano-4-[6-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-2-(chloromethyl)-5-cyano-4-[6-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-2-(chloromethyl)-5-cyano-4-(6-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-2-(chloromethyl)-5-cyano-4-(6-methyl-2-piperidino-quinolin-1-ium-3-yl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H28ClN4O3+ MolecularWeight: 467.96782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O3/c1-3-32-25(31)22-20(13-26)33-23(28)18(14-27)21(22)17-12-16-11-15(2)7-8-19(16)29-24(17)30-9-5-4-6-10-30/h7-8,11-12,21H,3-6,9-10,13,28H2,1-2H3/p+1/t21-/m1/s1