(1-ethyl-5-methyl-pyrazol-4-yl)methyl-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: (1-ethyl-5-methyl-4-pyrazolyl)methyl-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: (1-ethyl-5-methylpyrazol-4-yl)methyl-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]azanium Traditional Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-[(3R)-1-(3-fluorobenzyl)-5-keto-pyrrolidin-3-yl]ammonium Formula: C18H24FN4O+ MolecularWeight: 331.407763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH2+]C2CC(=O)N(C2)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH2+][C@@H]2CC(=O)N(C2)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C18H23FN4O/c1-3-23-13(2)15(10-21-23)9-20-17-8-18(24)22(12-17)11-14-5-4-6-16(19)7-14/h4-7,10,17,20H,3,8-9,11-12H2,1-2H3/p+1/t17-/m1/s1