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

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: [(2R)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]-[3-(3,5-dimethylpyrazol-1-yl)propyl]ammonium Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-14-10-15(2)23(22-14)9-5-8-21-12-17(24)13-28-18-7-6-16(20(25)27-4)11-19(18)26-3/h6-7,10-11,17,21,24H,5,8-9,12-13H2,1-4H3/p+1/t17-/m1/s1