[(1S,3S)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]methylazanium

Systemtic Name: [(1S,3S)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]methylazanium Openeye Name: [(1S,3S)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]methylammonium CAS Name: [(1S,3S)-3-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]cyclohexyl]methylammonium IUPAC Name: [(1S,3S)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]methylazanium Traditional Name: [(1S,3S)-3-methyl-1-[4-(2-pyrimidyl)piperazino]cyclohexyl]methylammonium Formula: C16H28N5+ MolecularWeight: 290.42702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C[NH3+])N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H]1CCC[C@](C1)(C[NH3+])N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H27N5/c1-14-4-2-5-16(12-14,13-17)21-10-8-20(9-11-21)15-18-6-3-7-19-15/h3,6-7,14H,2,4-5,8-13,17H2,1H3/p+1/t14-,16-/m0/s1