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

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]azanium Openeye Name: [(2R)-3-benzyloxy-2-hydroxy-propyl]-[3-(3,5-dimethylpyrazol-1-yl)propyl]ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]ammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]azanium Traditional Name: [(2R)-3-benzoxy-2-hydroxy-propyl]-[3-(3,5-dimethylpyrazol-1-yl)propyl]ammonium Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH2+]CC(COCC2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH2+]C[C@H](COCC2=CC=CC=C2)O)C

InChI

InChI=1S/C18H27N3O2/c1-15-11-16(2)21(20-15)10-6-9-19-12-18(22)14-23-13-17-7-4-3-5-8-17/h3-5,7-8,11,18-19,22H,6,9-10,12-14H2,1-2H3/p+1/t18-/m1/s1