(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thienylmethyl)propanamide CAS Name: (2R)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thenyl)propionamide Formula: C17H24N4OS+2 MolecularWeight: 332.46366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4OS/c1-14(17(22)19-13-15-5-4-12-23-15)20-8-10-21(11-9-20)16-6-2-3-7-18-16/h2-7,12,14H,8-11,13H2,1H3,(H,19,22)/p+2/t14-/m1/s1