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

Systemtic Name: (2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H23N5OS/c1-14(16(23)18-8-5-15-4-2-13-24-15)21-9-11-22(12-10-21)17-19-6-3-7-20-17/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,18,23)/p+1/t14-/m1/s1