2-(4-chlorophenyl)-4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazole

Systemtic Name: 2-(4-chlorophenyl)-4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazole Openeye Name: 2-(4-chlorophenyl)-4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]-5-methyl-oxazole CAS Name: 2-(4-chlorophenyl)-4-[[(3S)-3-methoxy-1-piperidin-1-iumyl]methyl]-5-methyloxazole IUPAC Name: 2-(4-chlorophenyl)-4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazole Traditional Name: 2-(4-chlorophenyl)-4-[[(3S)-3-methoxypiperidin-1-ium-1-yl]methyl]-5-methyl-oxazole Formula: C17H22ClN2O2+ MolecularWeight: 321.82178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2/c1-12-16(11-20-9-3-4-15(10-20)21-2)19-17(22-12)13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3/p+1/t15-/m0/s1