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

Systemtic Name: 3-[2-[(2S)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-2-yl]ethyl]phenol Openeye Name: 3-[2-[(2S)-1-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethyl]phenol CAS Name: 3-[2-[(2S)-1-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-2-piperidin-1-iumyl]ethyl]phenol IUPAC Name: 3-[2-[(2S)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-2-yl]ethyl]phenol Traditional Name: 3-[2-[(2S)-1-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-2-yl]ethyl]phenol Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCCCC3CCC4=CC(=CC=C4)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCCC[C@H]3CCC4=CC(=CC=C4)O

InChI

InChI=1S/C22H26N2O2S/c1-16-21(23-22(26-16)18-10-12-27-15-18)14-24-11-3-2-6-19(24)9-8-17-5-4-7-20(25)13-17/h4-5,7,10,12-13,15,19,25H,2-3,6,8-9,11,14H2,1H3/p+1/t19-/m0/s1