[(1S)-1-[4-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-4-yl]phenyl]ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=NC(=NC=C2)N3CC[NH+](CC3)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=NC(=NC=C2)N3CC[NH+](CC3)C)[NH3+]

InChI

InChI=1S/C17H23N5/c1-13(18)14-3-5-15(6-4-14)16-7-8-19-17(20-16)22-11-9-21(2)10-12-22/h3-8,13H,9-12,18H2,1-2H3/p+2/t13-/m0/s1