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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN=C(C(=[N+]1[O-])OC)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)CC1=CN=C(C(=[N+]1[O-])OC)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O2/c1-12(2)8-14-11-20-17(18(23-3)21(14)22)9-13-10-19-16-7-5-4-6-15(13)16/h4-7,10-12,19H,8-9H2,1-3H3