[6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methanol

Systemtic Name: [6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methanol Openeye Name: [6-[(2-chlorophenyl)methoxy]-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl]methanol CAS Name: [6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methanol IUPAC Name: [6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methanol Traditional Name: [6-(2-chlorobenzyl)oxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl]methanol Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O4/c1-11(2)8-15-16(19-14(9-21)17(23-3)20(15)22)24-10-12-6-4-5-7-13(12)18/h4-7,11,21H,8-10H2,1-3H3