1-[(3S)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[(3S)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-methyl-butan-1-one Openeye Name: 1-[(3S)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-methyl-butan-1-one CAS Name: 1-[(3S)-1-[[2-(4-methoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidin-1-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[(3S)-1-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-methylbutan-1-one Traditional Name: 1-[(3S)-1-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-methyl-butan-1-one Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-15(2)11-21(26)19-7-6-10-25(13-19)14-20-17(4)28-23(24-20)18-8-9-22(27-5)16(3)12-18/h8-9,12,15,19H,6-7,10-11,13-14H2,1-5H3/p+1/t19-/m0/s1