2-(2-methylpropyl)-8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium

Systemtic Name: 2-(2-methylpropyl)-8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium Openeye Name: 2-isobutyl-8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium CAS Name: 2-(2-methylpropyl)-8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium IUPAC Name: 2-(2-methylpropyl)-8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium Traditional Name: 2-isobutyl-8-nitro-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C1

Isomeric SMILES

CC(C)C[NH+]1CCN2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C1

InChI

InChI=1S/C14H18N4O2/c1-10(2)8-16-5-6-17-13-4-3-11(18(19)20)7-12(13)15-14(17)9-16/h3-4,7,10H,5-6,8-9H2,1-2H3/p+1