1-methyl-4-[2-(4-methyl-4-propan-2-yl-piperazine-1,4-diium-1-yl)ethyl]pyrimidin-1-ium

Systemtic Name: 1-methyl-4-[2-(4-methyl-4-propan-2-yl-piperazine-1,4-diium-1-yl)ethyl]pyrimidin-1-ium Openeye Name: 4-[2-(4-isopropyl-4-methyl-piperazine-1,4-diium-1-yl)ethyl]-1-methyl-pyrimidin-1-ium CAS Name: 1-methyl-4-[2-(4-methyl-4-propan-2-yl-1-piperazine-1,4-diiumyl)ethyl]pyrimidin-1-ium IUPAC Name: 1-methyl-4-[2-(4-methyl-4-propan-2-ylpiperazine-1,4-diium-1-yl)ethyl]pyrimidin-1-ium Traditional Name: 4-[2-(4-isopropyl-4-methyl-piperazine-1,4-diium-1-yl)ethyl]-1-methyl-pyrimidin-1-ium Formula: C15H29N4+3 MolecularWeight: 265.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CC[NH+](CC1)CCC2=NC=[N+](C=C2)C)C

Isomeric SMILES

CC(C)[N+]1(CC[NH+](CC1)CCC2=NC=[N+](C=C2)C)C

InChI

InChI=1S/C15H28N4/c1-14(2)19(4)11-9-18(10-12-19)8-6-15-5-7-17(3)13-16-15/h5,7,13-14H,6,8-12H2,1-4H3/q+2/p+1