ethyl (3R)-1-[[5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[5-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[6-keto-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H35N4O4+ MolecularWeight: 467.5805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)N(CCC4)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)N(CCC4)C

InChI

InChI=1S/C26H34N4O4/c1-3-34-26(33)20-7-5-13-30(16-20)17-21-9-10-22(25(32)28-21)24(31)27-15-18-8-11-23-19(14-18)6-4-12-29(23)2/h8-11,14,20H,3-7,12-13,15-17H2,1-2H3,(H,27,31)(H,28,32)/p+1/t20-/m1/s1