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

Systemtic Name: dimethyl-[(3S)-1-[[5-(phenoxymethyl)-1H-pyrazol-3-yl]carbonyl]pyrrolidin-3-yl]azanium Openeye Name: dimethyl-[(3S)-1-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]ammonium CAS Name: dimethyl-[(3S)-1-[oxo-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: dimethyl-[(3S)-1-[5-(phenoxymethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-20(2)14-8-9-21(11-14)17(22)16-10-13(18-19-16)12-23-15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1