(2S)-N-propan-2-yl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-propan-2-yl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-N-isopropyl-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2S)-N-propan-2-yl-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-N-propan-2-yl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2S)-N-isopropyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propionamide Formula: C15H27N3OS+2 MolecularWeight: 297.45938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C15H25N3OS/c1-12(2)16-15(19)13(3)18-8-6-17(7-9-18)11-14-5-4-10-20-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,16,19)/p+2/t13-/m0/s1