N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-nitro-benzamide

Systemtic Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-nitro-benzamide Openeye Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-nitro-benzamide CAS Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-nitrobenzamide IUPAC Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-nitrobenzamide Traditional Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-nitro-benzamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN3C(=NC4=C3C=CC(=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C2

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN3C(=NC4=C3C=CC(=C4)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C2

InChI

InChI=1S/C23H25N5O3/c29-23(16-5-4-8-19(13-16)28(30)31)24-17-9-10-21-20(14-17)25-22-15-26(11-12-27(21)22)18-6-2-1-3-7-18/h4-5,8-10,13-14,18H,1-3,6-7,11-12,15H2,(H,24,29)/p+1