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

Systemtic Name: 1-ethyl-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]indole Openeye Name: 1-ethyl-3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indole CAS Name: 1-ethyl-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]indole IUPAC Name: 1-ethyl-3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]indole Traditional Name: 1-ethyl-3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indole Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)N3CC(=[N+](C(=C3C)CC(C)C)[O-])OC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)N3CC(=[N+](C(=C3C)CC(C)C)[O-])OC

InChI

InChI=1S/C20H27N3O2/c1-6-21-12-19(16-9-7-8-10-17(16)21)22-13-20(25-5)23(24)18(15(22)4)11-14(2)3/h7-10,12,14H,6,11,13H2,1-5H3