(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(4-pyrrolidinoanilino)ethyl]-methyl-ammonium Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H31N5O/c1-19-24(20(2)30(27-19)23-9-5-4-6-10-23)17-28(3)18-25(31)26-21-11-13-22(14-12-21)29-15-7-8-16-29/h4-6,9-14H,7-8,15-18H2,1-3H3,(H,26,31)/p+1