N-cyclododecyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-cyclododecyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-cyclododecyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-cyclododecyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-cyclododecyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: cyclododecyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C29H43N7+2 MolecularWeight: 489.69862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCCCCC(CCCCC1)NC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C29H41N7/c1-2-4-6-8-13-24(14-9-7-5-3-1)32-28-25-15-10-11-16-26(25)33-27(34-28)23-35-19-21-36(22-20-35)29-30-17-12-18-31-29/h10-12,15-18,24H,1-9,13-14,19-23H2,(H,32,33,34)/p+2