[4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]methylazanium

Systemtic Name: [4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]methylazanium Openeye Name: [4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]methylammonium CAS Name: [4-[2-(4-methyl-1-piperazin-4-iumyl)-4-pyrimidinyl]phenyl]methylammonium IUPAC Name: [4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]methylazanium Traditional Name: [4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]benzyl]ammonium Formula: C16H23N5+2 MolecularWeight: 285.38732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C16H21N5/c1-20-8-10-21(11-9-20)16-18-7-6-15(19-16)14-4-2-13(12-17)3-5-14/h2-7H,8-12,17H2,1H3/p+2