4-[4-(4-nitrophenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium

Systemtic Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Openeye Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium CAS Name: 4-[4-(4-nitrophenyl)-1-piperazinyl]-2,6-bis(1-pyrrolidinyl)-1,3,5-triazin-1-ium IUPAC Name: 4-[4-(4-nitrophenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Traditional Name: 4-[4-(4-nitrophenyl)piperazino]-2,6-dipyrrolidino-s-triazin-1-ium Formula: C21H29N8O2+ MolecularWeight: 425.50736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=[NH+]C(=NC(=N2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C21H28N8O2/c30-29(31)18-7-5-17(6-8-18)25-13-15-28(16-14-25)21-23-19(26-9-1-2-10-26)22-20(24-21)27-11-3-4-12-27/h5-8H,1-4,9-16H2/p+1