[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(2-thienyl)methyl]ammonium CAS Name: [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]ammonium IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-[(R)-phenyl(2-thienyl)methyl]ammonium Formula: C22H26N4OS+2 MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[NH2+][C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H24N4OS/c27-21(26-14-12-25(13-15-26)20-10-4-5-11-23-20)17-24-22(19-9-6-16-28-19)18-7-2-1-3-8-18/h1-11,16,22,24H,12-15,17H2/p+2/t22-/m1/s1