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

Systemtic Name: [2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Openeye Name: [2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylammonium CAS Name: [2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methylammonium IUPAC Name: [2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Traditional Name: [2-[[4-(2-pyrimidyl)piperazino]methyl]benzyl]ammonium Formula: C16H22N5+ MolecularWeight: 284.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C[NH3+])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C[NH3+])C3=NC=CC=N3

InChI

InChI=1S/C16H21N5/c17-12-14-4-1-2-5-15(14)13-20-8-10-21(11-9-20)16-18-6-3-7-19-16/h1-7H,8-13,17H2/p+1