diethyl (4S)-2,6-dimethyl-4-(2-piperidin-1-ylquinolin-1-ium-3-yl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-2,6-dimethyl-4-(2-piperidin-1-ylquinolin-1-ium-3-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-2,6-dimethyl-4-[2-(1-piperidyl)quinolin-1-ium-3-yl]-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-[2-(1-piperidinyl)-3-quinolin-1-iumyl]-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-2,6-dimethyl-4-(2-piperidin-1-ylquinolin-1-ium-3-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(2-piperidinoquinolin-1-ium-3-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H34N3O4+ MolecularWeight: 464.57656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C)C)C(=O)OCC)C2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4

InChI

InChI=1S/C27H33N3O4/c1-5-33-26(31)22-17(3)28-18(4)23(27(32)34-6-2)24(22)20-16-19-12-8-9-13-21(19)29-25(20)30-14-10-7-11-15-30/h8-9,12-13,16,22,24H,5-7,10-11,14-15H2,1-4H3/p+1/t22?,24-/m1/s1