3-methyl-2-[(E)-non-2-enyl]-1-oxidanidyl-4-phenylmethoxy-quinolin-1-ium

Systemtic Name: 3-methyl-2-[(E)-non-2-enyl]-1-oxidanidyl-4-phenylmethoxy-quinolin-1-ium Openeye Name: 4-benzyloxy-3-methyl-2-[(E)-non-2-enyl]-1-oxido-quinolin-1-ium CAS Name: 3-methyl-2-[(E)-non-2-enyl]-1-oxido-4-phenylmethoxyquinolin-1-ium IUPAC Name: 3-methyl-2-[(E)-non-2-enyl]-1-oxido-4-phenylmethoxyquinolin-1-ium Traditional Name: 4-benzoxy-3-methyl-2-[(E)-non-2-enyl]-1-oxido-quinolin-1-ium Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC1=[N+](C2=CC=CC=C2C(=C1C)OCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCC/C=C/CC1=[N+](C2=CC=CC=C2C(=C1C)OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C26H31NO2/c1-3-4-5-6-7-8-12-18-24-21(2)26(29-20-22-15-10-9-11-16-22)23-17-13-14-19-25(23)27(24)28/h8-17,19H,3-7,18,20H2,1-2H3/b12-8+