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

Systemtic Name: 2-chloranyl-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]-1H-indole Openeye Name: 2-chloro-3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)-1H-indole CAS Name: 2-chloro-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole IUPAC Name: 2-chloro-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1H-indole Traditional Name: 2-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=C(NC3=CC=CC=C32)Cl)OC)[O-])CC(C)C

Isomeric SMILES

CC1=C([N+](=C(CN1C2=C(NC3=CC=CC=C32)Cl)OC)[O-])CC(C)C

InChI

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