4-[3-(1,4-dimethyl-4-propan-2-yl-piperazine-1,4-diium-1-yl)propyl]-1-methyl-pyrimidin-1-ium

Systemtic Name: 4-[3-(1,4-dimethyl-4-propan-2-yl-piperazine-1,4-diium-1-yl)propyl]-1-methyl-pyrimidin-1-ium Openeye Name: 4-[3-(4-isopropyl-1,4-dimethyl-piperazine-1,4-diium-1-yl)propyl]-1-methyl-pyrimidin-1-ium CAS Name: 4-[3-(1,4-dimethyl-4-propan-2-yl-1-piperazine-1,4-diiumyl)propyl]-1-methylpyrimidin-1-ium IUPAC Name: 4-[3-(1,4-dimethyl-4-propan-2-ylpiperazine-1,4-diium-1-yl)propyl]-1-methylpyrimidin-1-ium Traditional Name: 4-[3-(4-isopropyl-1,4-dimethyl-piperazine-1,4-diium-1-yl)propyl]-1-methyl-pyrimidin-1-ium Formula: C17H33N4+3 MolecularWeight: 293.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CC[N+](CC1)(C)CCCC2=NC=[N+](C=C2)C)C

Isomeric SMILES

CC(C)[N+]1(CC[N+](CC1)(C)CCCC2=NC=[N+](C=C2)C)C

InChI

InChI=1S/C17H33N4/c1-16(2)21(5)13-11-20(4,12-14-21)10-6-7-17-8-9-19(3)15-18-17/h8-9,15-16H,6-7,10-14H2,1-5H3/q+3