(2S)-3-methyl-2-(2-phenylethanoylamino)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-phenylethanoylamino)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]butanamide Openeye Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]butanamide CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]butyramide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC(=CS1)C[NH+]2CCCCC2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC(=CS1)C[NH+]2CCCCC2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-16(2)20(24-19(27)13-17-9-5-3-6-10-17)21(28)25-22-23-18(15-29-22)14-26-11-7-4-8-12-26/h3,5-6,9-10,15-16,20H,4,7-8,11-14H2,1-2H3,(H,24,27)(H,23,25,28)/p+1/t20-/m0/s1