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

Systemtic Name: [(Z,2S)-4-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)but-3-enyl]azanium Openeye Name: [(Z,2S)-4-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)but-3-enyl]ammonium CAS Name: [(Z,2S)-4-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]but-3-enyl]ammonium IUPAC Name: [(Z,2S)-4-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)but-3-enyl]azanium Traditional Name: [(Z,2S)-4-phenyl-2-(4-pyridin-1-ium-2-ylpiperazino)but-3-enyl]ammonium Formula: C19H26N4+2 MolecularWeight: 310.43654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(C[NH3+])C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)[C@H](C[NH3+])/C=C\C3=CC=CC=C3

InChI

InChI=1S/C19H24N4/c20-16-18(10-9-17-6-2-1-3-7-17)22-12-14-23(15-13-22)19-8-4-5-11-21-19/h1-11,18H,12-16,20H2/p+2/b10-9-/t18-/m0/s1