3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]azanium Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH2+]CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH2+]C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)C

InChI

InChI=1S/C23H29N3O2/c1-18-15-19(2)26(25-18)14-6-13-24-16-22(27)17-28-23-11-9-21(10-12-23)20-7-4-3-5-8-20/h3-5,7-12,15,22,24,27H,6,13-14,16-17H2,1-2H3/p+1/t22-/m1/s1