(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-methyl-1-piperazin-4-iumyl)-1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C19H30N4O2S+2 MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC(C(C3)O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CC[C@H]([C@@H](C3)O)N4CC[NH+](CC4)C

InChI

InChI=1S/C19H28N4O2S/c1-14-15(20-19(25-14)18-4-3-11-26-18)12-22-6-5-16(17(24)13-22)23-9-7-21(2)8-10-23/h3-4,11,16-17,24H,5-10,12-13H2,1-2H3/p+2/t16-,17-/m1/s1