3-(4-methyl-1,3-thiazol-5-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(4-methyl-1,3-thiazol-5-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4-methylthiazol-5-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]propan-1-one CAS Name: 3-(4-methyl-5-thiazolyl)-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-methyl-1,3-thiazol-5-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(4-methylthiazol-5-yl)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]propan-1-one Formula: C17H28N3OS+ MolecularWeight: 322.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)N2CCCC(C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)N2CCC[C@@H](C2)C[NH+]3CCCC3

InChI

InChI=1S/C17H27N3OS/c1-14-16(22-13-18-14)6-7-17(21)20-10-4-5-15(12-20)11-19-8-2-3-9-19/h13,15H,2-12H2,1H3/p+1/t15-/m1/s1