N,N-diethyl-4-[[(5R)-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[[(5R)-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[[(5R)-2-(2-thienyl)-4,5-dihydrooxazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[[(5R)-2-thiophen-2-yl-4,5-dihydrooxazol-5-yl]methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[[(5R)-2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[[(5R)-2-(2-thienyl)-2-oxazolin-5-yl]methyl]piperazin-4-ium-1-sulfonamide Formula: C16H27N4O3S2+ MolecularWeight: 387.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2CN=C(O2)C3=CC=CS3

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)C[C@H]2CN=C(O2)C3=CC=CS3

InChI

InChI=1S/C16H26N4O3S2/c1-3-19(4-2)25(21,22)20-9-7-18(8-10-20)13-14-12-17-16(23-14)15-6-5-11-24-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3/p+1/t14-/m1/s1