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

Systemtic Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propionamide Formula: C18H26N4OS+2 MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H24N4OS/c1-15(18(23)20-9-7-16-5-4-14-24-16)21-10-12-22(13-11-21)17-6-2-3-8-19-17/h2-6,8,14-15H,7,9-13H2,1H3,(H,20,23)/p+2/t15-/m1/s1