methyl (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: methyl (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: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)C4C(=C(OC(=C4C(=O)OC)C)N)C#N

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCC3)[C@@H]4C(=C(OC(=C4C(=O)OC)C)N)C#N

InChI

InChI=1S/C24H26N4O3/c1-14-7-8-19-16(11-14)12-17(23(27-19)28-9-5-4-6-10-28)21-18(13-25)22(26)31-15(2)20(21)24(29)30-3/h7-8,11-12,21H,4-6,9-10,26H2,1-3H3/p+1/t21-/m1/s1