N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1-methyl-quinolin-1-ium-3-carboxamide

Systemtic Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1-methyl-quinolin-1-ium-3-carboxamide Openeye Name: N-[4-[(5-tert-butylisoxazol-3-yl)carbamoylamino]phenyl]-1-methyl-quinolin-1-ium-3-carboxamide CAS Name: N-[4-[[[(5-tert-butyl-3-isoxazolyl)amino]-oxomethyl]amino]phenyl]-1-methyl-3-quinolin-1-iumcarboxamide IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1-methylquinolin-1-ium-3-carboxamide Traditional Name: N-[4-[(5-tert-butylisoxazol-3-yl)carbamoylamino]phenyl]-1-methyl-quinolin-1-ium-3-carboxamide Formula: C25H26N5O3+ MolecularWeight: 444.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4[N+](=C3)C

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4[N+](=C3)C

InChI

InChI=1S/C25H25N5O3/c1-25(2,3)21-14-22(29-33-21)28-24(32)27-19-11-9-18(10-12-19)26-23(31)17-13-16-7-5-6-8-20(16)30(4)15-17/h5-15H,1-4H3,(H2-,26,27,28,29,31,32)/p+1