ethyl (3S)-1-(5,6,7-trimethoxy-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(5,6,7-trimethoxy-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5,6,7-trimethoxy-4-methyl-quinolin-1-ium-2-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(5,6,7-trimethoxy-4-methyl-2-quinolin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(5,6,7-trimethoxy-4-methylquinolin-1-ium-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5,6,7-trimethoxy-4-methyl-quinolin-1-ium-2-yl)nipecotic acid ethyl ester Formula: C21H29N2O5+ MolecularWeight: 389.46536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=[NH+]C3=CC(=C(C(=C3C(=C2)C)OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=[NH+]C3=CC(=C(C(=C3C(=C2)C)OC)OC)OC

InChI

InChI=1S/C21H28N2O5/c1-6-28-21(24)14-8-7-9-23(12-14)17-10-13(2)18-15(22-17)11-16(25-3)19(26-4)20(18)27-5/h10-11,14H,6-9,12H2,1-5H3/p+1/t14-/m0/s1