1-[3,6-dimethyl-5-(3-methylbutyl)-1-oxidanidyl-pyrazin-1-ium-2-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[3,6-dimethyl-5-(3-methylbutyl)-1-oxidanidyl-pyrazin-1-ium-2-yl]-3-methyl-butan-1-one Openeye Name: 1-(5-isopentyl-3,6-dimethyl-1-oxido-pyrazin-1-ium-2-yl)-3-methyl-butan-1-one CAS Name: 1-[3,6-dimethyl-5-(3-methylbutyl)-1-oxido-2-pyrazin-1-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[3,6-dimethyl-5-(3-methylbutyl)-1-oxidopyrazin-1-ium-2-yl]-3-methylbutan-1-one Traditional Name: 1-(5-isoamyl-3,6-dimethyl-1-oxido-pyrazin-1-ium-2-yl)-3-methyl-butan-1-one Formula: C16H26N2O2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(C(=N1)CCC(C)C)C)[O-])C(=O)CC(C)C

Isomeric SMILES

CC1=C([N+](=C(C(=N1)CCC(C)C)C)[O-])C(=O)CC(C)C

InChI

InChI=1S/C16H26N2O2/c1-10(2)7-8-14-13(6)18(20)16(12(5)17-14)15(19)9-11(3)4/h10-11H,7-9H2,1-6H3