(3R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-3-(phenylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-3-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-benzyl-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-3-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-benzyl-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-benzyl-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCNC(=O)C3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCNC(=O)[C@H]3CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-14-17(22-20(25-14)16-7-10-26-13-16)12-23-9-8-21-19(24)18(23)11-15-5-3-2-4-6-15/h2-7,10,13,18H,8-9,11-12H2,1H3,(H,21,24)/p+1/t18-/m1/s1