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

Systemtic Name: 2-[4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]ethylazanium Openeye Name: 2-[4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]ethylammonium CAS Name: 2-[4-[2-(4-methyl-1-piperazin-4-iumyl)-4-pyrimidinyl]phenyl]ethylammonium IUPAC Name: 2-[4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]ethylazanium Traditional Name: 2-[4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]ethylammonium Formula: C17H25N5+2 MolecularWeight: 299.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5/c1-21-10-12-22(13-11-21)17-19-9-7-16(20-17)15-4-2-14(3-5-15)6-8-18/h2-5,7,9H,6,8,10-13,18H2,1H3/p+2