3-methyl-2-[4-(3-methylbutoxy)phenyl]-4-oxidanidyl-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide

Systemtic Name: 3-methyl-2-[4-(3-methylbutoxy)phenyl]-4-oxidanidyl-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide Openeye Name: 2-(4-isopentyloxyphenyl)-3-methyl-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide CAS Name: 3-methyl-2-[4-(3-methylbutoxy)phenyl]-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide IUPAC Name: 3-methyl-2-[4-(3-methylbutoxy)phenyl]-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide Traditional Name: 2-(4-isoamoxyphenyl)-3-methyl-4-oxido-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide Formula: C20H26N2O3 MolecularWeight: 342.43204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C20H26N2O3/c1-14(2)12-13-25-17-10-8-16(9-11-17)20-15(3)21(23)18-6-4-5-7-19(18)22(20)24/h8-11,14H,4-7,12-13H2,1-3H3