[(Z,2S)-5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pent-4-enyl]azanium

Systemtic Name: [(Z,2S)-5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pent-4-enyl]azanium Openeye Name: [(Z,2S)-5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pent-4-enyl]ammonium CAS Name: [(Z,2S)-5-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pent-4-enyl]ammonium IUPAC Name: [(Z,2S)-5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pent-4-enyl]azanium Traditional Name: [(Z,2S)-5-phenyl-2-(4-pyridin-1-ium-2-ylpiperazino)pent-4-enyl]ammonium Formula: C20H28N4+2 MolecularWeight: 324.46312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4/c21-17-19(10-6-9-18-7-2-1-3-8-18)23-13-15-24(16-14-23)20-11-4-5-12-22-20/h1-9,11-12,19H,10,13-17,21H2/p+2/b9-6-/t19-/m0/s1