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

Systemtic Name: 1-cyclohexyl-3-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)urea Openeye Name: 1-cyclohexyl-3-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)urea CAS Name: 1-cyclohexyl-3-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)urea IUPAC Name: 1-cyclohexyl-3-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)urea Traditional Name: 1-cyclohexyl-3-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)urea Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N4CC[NH+](CC4=N3)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N4CC[NH+](CC4=N3)C5CCCCC5

InChI

InChI=1S/C23H33N5O/c29-23(24-17-7-3-1-4-8-17)25-18-11-12-21-20(15-18)26-22-16-27(13-14-28(21)22)19-9-5-2-6-10-19/h11-12,15,17,19H,1-10,13-14,16H2,(H2,24,25,29)/p+1