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

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-N-(2,4,4-trimethylpentan-2-yl)quinazolin-3-ium-4-amine Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-N-(1,1,3,3-tetramethylbutyl)quinazolin-3-ium-4-amine CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-N-(2,4,4-trimethylpentan-2-yl)-4-quinazolin-3-iumamine IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-N-(2,4,4-trimethylpentan-2-yl)quinazolin-3-ium-4-amine Traditional Name: [2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]-(1,1,3,3-tetramethylbutyl)amine Formula: C25H37N7+2 MolecularWeight: 435.60818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H35N7/c1-24(2,3)18-25(4,5)30-22-19-9-6-7-10-20(19)28-21(29-22)17-31-13-15-32(16-14-31)23-26-11-8-12-27-23/h6-12H,13-18H2,1-5H3,(H,28,29,30)/p+2