5-methyl-4-[[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2CCC[NH+](C2)CC3=C(OC(=N3)C4=CSC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H]2CCC[NH+](C2)CC3=C(OC(=N3)C4=CSC=C4)C

InChI

InChI=1S/C22H26N2O2S/c1-16-5-3-7-20(11-16)25-14-18-6-4-9-24(12-18)13-21-17(2)26-22(23-21)19-8-10-27-15-19/h3,5,7-8,10-11,15,18H,4,6,9,12-14H2,1-2H3/p+1/t18-/m0/s1