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

Systemtic Name: 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(5-isobutyl-3-methoxy-6-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[(5-isobutyl-3-methoxy-6-methyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(C(=N1)CC2=CNC3=CC=CC=C32)OC)[O-])CC(C)C

Isomeric SMILES

CC1=C([N+](=C(C(=N1)CC2=CNC3=CC=CC=C32)OC)[O-])CC(C)C

InChI

InChI=1S/C19H23N3O2/c1-12(2)9-18-13(3)21-17(19(24-4)22(18)23)10-14-11-20-16-8-6-5-7-15(14)16/h5-8,11-12,20H,9-10H2,1-4H3