2-methyl-1-oxidanidyl-3-thiophen-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide

Systemtic Name: 2-methyl-1-oxidanidyl-3-thiophen-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide Openeye Name: 2-methyl-1-oxido-3-(2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide CAS Name: 2-methyl-1-oxido-3-thiophen-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide IUPAC Name: 2-methyl-1-oxido-3-thiophen-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide Traditional Name: 2-methyl-1-oxido-3-(2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=CS3

Isomeric SMILES

CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=CS3

InChI

InChI=1S/C14H16N2O2S/c1-10-14(13-8-5-9-19-13)16(18)12-7-4-2-3-6-11(12)15(10)17/h5,8-9H,2-4,6-7H2,1H3