1-butyl-4-[[4-[(2-methylquinolin-4-yl)methyl]phenyl]carbonylamino]-1-oxidanyl-pyrrolidin-1-ium-3-carboxylic acid

Systemtic Name: 1-butyl-4-[[4-[(2-methylquinolin-4-yl)methyl]phenyl]carbonylamino]-1-oxidanyl-pyrrolidin-1-ium-3-carboxylic acid Openeye Name: 1-butyl-1-hydroxy-4-[[4-[(2-methyl-4-quinolyl)methyl]benzoyl]amino]pyrrolidin-1-ium-3-carboxylic acid CAS Name: 1-butyl-1-hydroxy-4-[[[4-[(2-methyl-4-quinolinyl)methyl]phenyl]-oxomethyl]amino]-3-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-butyl-1-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]pyrrolidin-1-ium-3-carboxylic acid Traditional Name: 1-butyl-1-hydroxy-4-[[4-[(2-methyl-4-quinolyl)methyl]benzoyl]amino]pyrrolidin-1-ium-3-carboxylic acid Formula: C27H32N3O4+ MolecularWeight: 462.56068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC(C(C1)NC(=O)C2=CC=C(C=C2)CC3=CC(=NC4=CC=CC=C43)C)C(=O)O)O

Isomeric SMILES

CCCC[N+]1(CC(C(C1)NC(=O)C2=CC=C(C=C2)CC3=CC(=NC4=CC=CC=C43)C)C(=O)O)O

InChI

InChI=1S/C27H31N3O4/c1-3-4-13-30(34)16-23(27(32)33)25(17-30)29-26(31)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,3-4,13,15-17H2,1-2H3,(H-,29,31,32,33)/p+1