N4-(4-bromophenyl)-N2-cycloheptyl-N6-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-(4-bromophenyl)-N2-cycloheptyl-N6-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(4-bromophenyl)-N2-cycloheptyl-N6-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(4-bromophenyl)-N2-cycloheptyl-N6-[(1-ethyl-1-pyrrolidin-1-iumyl)methyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(4-bromophenyl)-2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(4-bromoanilino)-6-(cycloheptylamino)-s-triazin-2-yl]-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]amine Formula: C23H35BrN7+ MolecularWeight: 489.4749

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1)CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC[N+]1(CCCC1)CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H35BrN7/c1-2-31(15-7-8-16-31)17-25-21-28-22(26-19-9-5-3-4-6-10-19)30-23(29-21)27-20-13-11-18(24)12-14-20/h11-14,19H,2-10,15-17H2,1H3,(H3,25,26,27,28,29,30)/q+1