[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-[[5-methyl-2-(3-methyl-2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S)-1-[[5-methyl-2-(3-methyl-2-thiophenyl)-4-oxazolyl]methyl]-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-[[5-methyl-2-(3-methyl-2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C20H23N2O2S2+ MolecularWeight: 387.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCCC(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C(O2)C)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N2O2S2/c1-13-7-10-26-19(13)20-21-16(14(2)24-20)12-22-8-3-5-15(11-22)18(23)17-6-4-9-25-17/h4,6-7,9-10,15H,3,5,8,11-12H2,1-2H3/p+1/t15-/m0/s1