N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-methylpiperidino)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C16H28N5O4S+ MolecularWeight: 386.48962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C16H27N5O4S/c1-13-3-5-20(6-4-13)26(23,24)21-9-7-19(8-10-21)12-16(22)17-15-11-14(2)25-18-15/h11,13H,3-10,12H2,1-2H3,(H,17,18,22)/p+1