2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3CC[NH+](C(C3)CCO)CC4CCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3CC[NH+]([C@H](C3)CCO)CC4CCCCC4

InChI

InChI=1S/C22H33N3O2S/c1-17-20(23-22(27-17)21-8-5-13-28-21)16-24-10-11-25(19(15-24)9-12-26)14-18-6-3-2-4-7-18/h5,8,13,18-19,26H,2-4,6-7,9-12,14-16H2,1H3/p+1/t19-/m0/s1