3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]azanium

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-oxidanyl-3-(thiophen-2-ylmethoxy)propyl]azanium Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(2-thienylmethoxy)propyl]ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]ammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]azanium Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(2-thenyloxy)propyl]ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH2+]CC(COCC2=CC=CS2)O)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH2+]C[C@H](COCC2=CC=CS2)O)C

InChI

InChI=1S/C16H25N3O2S/c1-13-9-14(2)19(18-13)7-4-6-17-10-15(20)11-21-12-16-5-3-8-22-16/h3,5,8-9,15,17,20H,4,6-7,10-12H2,1-2H3/p+1/t15-/m1/s1