6-[(4-chlorophenyl)sulfinylmethyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 6-[(4-chlorophenyl)sulfinylmethyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-[(4-chlorophenyl)sulfinylmethyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-[(4-chlorophenyl)sulfinylmethyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 6-[(4-chlorophenyl)sulfinylmethyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-[(4-chlorophenyl)sulfinylmethyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C16H19ClN2O4S MolecularWeight: 370.85106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CS(=O)C2=CC=C(C=C2)Cl)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CS(=O)C2=CC=C(C=C2)Cl)OC)[O-]

InChI

InChI=1S/C16H19ClN2O4S/c1-10(2)8-14-15(20)18-13(16(23-3)19(14)21)9-24(22)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,20)