methyl-[(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-3-piperidyl]ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3CCCC(C3)[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3CCC[C@@H](C3)[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3OS/c1-17-20(23-22(26-17)21-11-7-13-27-21)16-25-12-6-10-19(15-25)24(2)14-18-8-4-3-5-9-18/h3-5,7-9,11,13,19H,6,10,12,14-16H2,1-2H3/p+1/t19-/m0/s1