1-[4-(2-hexyl-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]-3-phenyl-urea

Systemtic Name: 1-[4-(2-hexyl-5-oxidanidyl-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]-3-phenyl-urea Openeye Name: 1-[4-(2-hexyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]-3-phenyl-urea CAS Name: 1-[4-(2-hexyl-5-oxido-1-imidazo[4,5-c]quinolin-5-iumyl)butyl]-3-phenylurea IUPAC Name: 1-[4-(2-hexyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)butyl]-3-phenylurea Traditional Name: 1-[4-(2-hexyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)butyl]-3-phenyl-urea Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1CCCCNC(=O)NC3=CC=CC=C3)C4=CC=CC=C4[N+](=C2)[O-]

Isomeric SMILES

CCCCCCC1=NC2=C(N1CCCCNC(=O)NC3=CC=CC=C3)C4=CC=CC=C4[N+](=C2)[O-]

InChI

InChI=1S/C27H33N5O2/c1-2-3-4-8-17-25-30-23-20-32(34)24-16-10-9-15-22(24)26(23)31(25)19-12-11-18-28-27(33)29-21-13-6-5-7-14-21/h5-7,9-10,13-16,20H,2-4,8,11-12,17-19H2,1H3,(H2,28,29,33)