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

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-methyl-4-(2-piperidin-1-ylquinolin-1-ium-3-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-[2-(1-piperidyl)quinolin-1-ium-3-yl]-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-[2-(1-piperidinyl)-3-quinolin-1-iumyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-(2-piperidin-1-ylquinolin-1-ium-3-yl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-(2-piperidinoquinolin-1-ium-3-yl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4)C#N)N)C

InChI

InChI=1S/C24H26N4O3/c1-3-30-24(29)20-15(2)31-22(26)18(14-25)21(20)17-13-16-9-5-6-10-19(16)27-23(17)28-11-7-4-8-12-28/h5-6,9-10,13,21H,3-4,7-8,11-12,26H2,1-2H3/p+1/t21-/m0/s1