5-[(2-chlorophenyl)methoxy]-3-(iodanylmethyl)-2-methoxy-6-(2-methylpropyl)-1-oxidanidyl-pyrazin-1-ium

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-3-(iodanylmethyl)-2-methoxy-6-(2-methylpropyl)-1-oxidanidyl-pyrazin-1-ium Openeye Name: 3-[(2-chlorophenyl)methoxy]-5-(iodomethyl)-2-isobutyl-6-methoxy-1-oxido-pyrazin-1-ium CAS Name: 5-[(2-chlorophenyl)methoxy]-3-(iodomethyl)-2-methoxy-6-(2-methylpropyl)-1-oxidopyrazin-1-ium IUPAC Name: 5-[(2-chlorophenyl)methoxy]-3-(iodomethyl)-2-methoxy-6-(2-methylpropyl)-1-oxidopyrazin-1-ium Traditional Name: 3-(2-chlorobenzyl)oxy-5-(iodomethyl)-2-isobutyl-6-methoxy-1-oxido-pyrazin-1-ium Formula: C17H20ClIN2O3 MolecularWeight: 462.70977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2Cl)CI)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2Cl)CI)OC)[O-]

InChI

InChI=1S/C17H20ClIN2O3/c1-11(2)8-15-16(20-14(9-19)17(23-3)21(15)22)24-10-12-6-4-5-7-13(12)18/h4-7,11H,8-10H2,1-3H3