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

Systemtic Name: 4-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole Openeye Name: 4-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(3-thienyl)oxazole CAS Name: 4-[[(3S)-3-[(3-methoxyphenoxy)methyl]-1-piperidin-1-iumyl]methyl]-5-methyl-2-(3-thiophenyl)oxazole IUPAC Name: 4-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole Traditional Name: 4-[[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(3-thienyl)oxazole Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCCC(C3)COC4=CC=CC(=C4)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCC[C@@H](C3)COC4=CC=CC(=C4)OC

InChI

InChI=1S/C22H26N2O3S/c1-16-21(23-22(27-16)18-8-10-28-15-18)13-24-9-4-5-17(12-24)14-26-20-7-3-6-19(11-20)25-2/h3,6-8,10-11,15,17H,4-5,9,12-14H2,1-2H3/p+1/t17-/m0/s1