1-phenethyl-3-propan-2-yl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium

Systemtic Name: 1-phenethyl-3-propan-2-yl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium Openeye Name: 3-isopropyl-1-phenethyl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium CAS Name: 1-phenethyl-3-propan-2-yl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium IUPAC Name: 1-phenethyl-3-propan-2-yl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium Traditional Name: 3-isopropyl-1-phenethyl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CN(C2=NC3=CC=CC=C3N2C1)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CN(C2=NC3=CC=CC=C3N2C1)CCC4=CC=CC=C4

InChI

InChI=1S/C20H24N4/c1-16(2)23-14-22(13-12-17-8-4-3-5-9-17)20-21-18-10-6-7-11-19(18)24(20)15-23/h3-11,16H,12-15H2,1-2H3/p+1