[(Z,2S)-4-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-enyl]azanium

Systemtic Name: [(Z,2S)-4-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-enyl]azanium Openeye Name: [(Z,2S)-4-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-enyl]ammonium CAS Name: [(Z,2S)-4-phenyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]but-3-enyl]ammonium IUPAC Name: [(Z,2S)-4-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-enyl]azanium Traditional Name: [(Z,2S)-4-phenyl-2-[4-(2-pyrimidyl)piperazino]but-3-enyl]ammonium Formula: C18H24N5+ MolecularWeight: 310.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C[NH3+])C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)[C@H](C[NH3+])/C=C\C3=CC=CC=C3

InChI

InChI=1S/C18H23N5/c19-15-17(8-7-16-5-2-1-3-6-16)22-11-13-23(14-12-22)18-20-9-4-10-21-18/h1-10,17H,11-15,19H2/p+1/b8-7-/t17-/m0/s1