[1-(4-pyrimidin-2-ylpiperazin-1-yl)cycloheptyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C[NH3+])N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CCCC(CC1)(C[NH3+])N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H27N5/c17-14-16(6-3-1-2-4-7-16)21-12-10-20(11-13-21)15-18-8-5-9-19-15/h5,8-9H,1-4,6-7,10-14,17H2/p+1