(2S)-N-(2-methylpropylcarbamoyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methylpropylcarbamoyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(isobutylcarbamoyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(2-methylpropylamino)-oxomethyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylpropylcarbamoyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(isobutylcarbamoyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C15H26N5O2S+ MolecularWeight: 340.46424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)[NH+]1CCN(CC1)C2=NC=CS2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC(C)C)[NH+]1CCN(CC1)C2=NC=CS2

InChI

InChI=1S/C15H25N5O2S/c1-11(2)10-17-14(22)18-13(21)12(3)19-5-7-20(8-6-19)15-16-4-9-23-15/h4,9,11-12H,5-8,10H2,1-3H3,(H2,17,18,21,22)/p+1/t12-/m0/s1