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

Systemtic Name: 1-[(3S)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-phenyl-propan-1-one Openeye Name: 1-[(3S)-1-[[2-(2-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-phenyl-propan-1-one CAS Name: 1-[(3S)-1-[[2-(2-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidin-1-iumyl]-3-phenyl-1-propanone IUPAC Name: 1-[(3S)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-phenylpropan-1-one Traditional Name: 1-[(3S)-1-[[2-(2-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-3-phenyl-propan-1-one Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2OC)C[NH+]3CCCC(C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2OC)C[NH+]3CCC[C@@H](C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-19-23(27-26(31-19)22-12-6-7-13-25(22)30-2)18-28-16-8-11-21(17-28)24(29)15-14-20-9-4-3-5-10-20/h3-7,9-10,12-13,21H,8,11,14-18H2,1-2H3/p+1/t21-/m0/s1