tert-butyl N-[[4-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-2,3-dihydroquinolin-1-yl)-phenyl-methyl]pyridin-1-ium-1-yl]carbonylamino]carbamate

Systemtic Name: tert-butyl N-[[4-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-2,3-dihydroquinolin-1-yl)-phenyl-methyl]pyridin-1-ium-1-yl]carbonylamino]carbamate Openeye Name: tert-butyl N-[[4-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-2,3-dihydroquinolin-1-yl]-phenyl-methyl]pyridin-1-ium-1-carbonyl]amino]carbamate CAS Name: N-[[[4-[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-2,3-dihydroquinolin-1-yl]-phenylmethyl]-1-pyridin-1-iumyl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-2,3-dihydroquinolin-1-yl]-phenylmethyl]pyridin-1-ium-1-carbonyl]amino]carbamate Traditional Name: N-[[4-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-2,3-dihydroquinolin-1-yl]-phenyl-methyl]pyridin-1-ium-1-carbonyl]amino]carbamic acid tert-butyl ester Formula: C32H35ClN5O5+ MolecularWeight: 605.1038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(CC(=O)C4=C3C=C(C=C4)Cl)C(=O)N5CCCC5

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(CC(=O)C4=C3C=C(C=C4)Cl)C(=O)N5CCCC5

InChI

InChI=1S/C32H34ClN5O5/c1-32(2,3)43-31(42)35-34-30(41)37-17-13-22(14-18-37)28(21-9-5-4-6-10-21)38-25-19-23(33)11-12-24(25)27(39)20-26(38)29(40)36-15-7-8-16-36/h4-6,9-14,17-19,26,28H,7-8,15-16,20H2,1-3H3,(H-,34,35,41,42)/p+1