2-butyl-5-oxidanidyl-N-(phenylmethyl)imidazo[4,5-c]quinolin-5-ium-1-amine

Systemtic Name: 2-butyl-5-oxidanidyl-N-(phenylmethyl)imidazo[4,5-c]quinolin-5-ium-1-amine Openeye Name: N-benzyl-2-butyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-amine CAS Name: 2-butyl-5-oxido-N-(phenylmethyl)-1-imidazo[4,5-c]quinolin-5-iumamine IUPAC Name: N-benzyl-2-butyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-amine Traditional Name: benzyl-(2-butyl-5-oxido-imidazo[4,5-c]quinolin-5-ium-1-yl)amine Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1NCC3=CC=CC=C3)C4=CC=CC=C4[N+](=C2)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1NCC3=CC=CC=C3)C4=CC=CC=C4[N+](=C2)[O-]

InChI

InChI=1S/C21H22N4O/c1-2-3-13-20-23-18-15-24(26)19-12-8-7-11-17(19)21(18)25(20)22-14-16-9-5-4-6-10-16/h4-12,15,22H,2-3,13-14H2,1H3