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

Systemtic Name: 3-(5-methoxy-3-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)-2-(2-methylpropyl)-1H-indole Openeye Name: 2-isobutyl-3-(5-methoxy-3-methyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole CAS Name: 3-(5-methoxy-3-methyl-4-oxido-2-pyrazin-4-iumyl)-2-(2-methylpropyl)-1H-indole IUPAC Name: 3-(5-methoxy-3-methyl-4-oxidopyrazin-4-ium-2-yl)-2-(2-methylpropyl)-1H-indole Traditional Name: 2-isobutyl-3-(5-methoxy-3-methyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN=C1C2=C(NC3=CC=CC=C32)CC(C)C)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=CN=C1C2=C(NC3=CC=CC=C32)CC(C)C)OC)[O-]

InChI

InChI=1S/C18H21N3O2/c1-11(2)9-15-17(13-7-5-6-8-14(13)20-15)18-12(3)21(22)16(23-4)10-19-18/h5-8,10-11,20H,9H2,1-4H3