[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3S)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3S)-1-ethyl-5-oxidanylidene-pyrrolidin-3-yl]methyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3S)-1-ethyl-5-oxo-pyrrolidin-3-yl]methyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[[(3S)-1-ethyl-5-oxo-3-pyrrolidinyl]methyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3S)-1-ethyl-5-keto-pyrrolidin-3-yl]methyl]ammonium Formula: C25H31N4O+ MolecularWeight: 403.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC1=O)C[NH2+]CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN1C[C@@H](CC1=O)C[NH2+]CC2=CN(N=C2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H30N4O/c1-4-28-16-20(13-24(28)30)14-26-15-22-17-29(23-12-18(2)10-11-19(23)3)27-25(22)21-8-6-5-7-9-21/h5-12,17,20,26H,4,13-16H2,1-3H3/p+1/t20-/m0/s1