4-butyl-2,3-dihexoxy-1-oxidanidyl-quinolin-1-ium

Systemtic Name: 4-butyl-2,3-dihexoxy-1-oxidanidyl-quinolin-1-ium Openeye Name: 4-butyl-2,3-dihexoxy-1-oxido-quinolin-1-ium CAS Name: 4-butyl-2,3-dihexoxy-1-oxidoquinolin-1-ium IUPAC Name: 4-butyl-2,3-dihexoxy-1-oxidoquinolin-1-ium Traditional Name: 4-butyl-2,3-dihexoxy-1-oxido-quinolin-1-ium Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=CC=CC=C2[N+](=C1OCCCCCC)[O-])CCCC

Isomeric SMILES

CCCCCCOC1=C(C2=CC=CC=C2[N+](=C1OCCCCCC)[O-])CCCC

InChI

InChI=1S/C25H39NO3/c1-4-7-10-14-19-28-24-22(16-9-6-3)21-17-12-13-18-23(21)26(27)25(24)29-20-15-11-8-5-2/h12-13,17-18H,4-11,14-16,19-20H2,1-3H3