5-chloranyl-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole

Systemtic Name: 5-chloranyl-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole Openeye Name: 5-chloro-3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-1H-indole CAS Name: 5-chloro-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole IUPAC Name: 5-chloro-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole Traditional Name: 5-chloro-3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-1H-indole Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(CN1C2=CNC3=C2C=C(C=C3)Cl)OC)[O-])CC(C)C

Isomeric SMILES

CC1=C([N+](=C(CN1C2=CNC3=C2C=C(C=C3)Cl)OC)[O-])CC(C)C

InChI

InChI=1S/C18H22ClN3O2/c1-11(2)7-16-12(3)21(10-18(24-4)22(16)23)17-9-20-15-6-5-13(19)8-14(15)17/h5-6,8-9,11,20H,7,10H2,1-4H3