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

Systemtic Name: 1-oxidanidyl-3-phenyl-2-propan-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide Openeye Name: 2-isopropyl-1-oxido-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide CAS Name: 1-oxido-3-phenyl-2-propan-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide IUPAC Name: 1-oxido-3-phenyl-2-propan-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide Traditional Name: 2-isopropyl-1-oxido-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2/c1-13(2)17-18(14-9-5-3-6-10-14)20(22)16-12-8-4-7-11-15(16)19(17)21/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3