N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-isopropylisoxazol-5-yl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-propan-2-yl-5-isoxazolyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-isopropylisoxazol-5-yl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C17H24N4O2S/c1-13(2)15-10-17(23-19-15)18-16(22)12-21-7-5-20(6-8-21)11-14-4-3-9-24-14/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,18,22)/p+1