[(3S)-1-[[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]carbonyl]pyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]carbonyl]pyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C(=O)C2=NNC(=C2)COC3=CC=CC(=C3)OC

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C(=O)C2=NNC(=C2)COC3=CC=CC(=C3)OC

InChI

InChI=1S/C18H24N4O3/c1-21(2)14-7-8-22(11-14)18(23)17-9-13(19-20-17)12-25-16-6-4-5-15(10-16)24-3/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,19,20)/p+1/t14-/m0/s1