[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Openeye Name: [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylammonium CAS Name: [3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methylammonium IUPAC Name: [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-[[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=C2)C[NH3+])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C[NH3+])C3=NC=CC=N3

InChI

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