2-[4-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carbonyl]piperazin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethyl-dimethylammonium IUPAC Name: 2-[4-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[1-(2-chlorobenzyl)-3-phenyl-pyrazole-4-carbonyl]piperazino]ethyl-dimethyl-ammonium Formula: C25H31ClN5O+ MolecularWeight: 452.99954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C[NH+](C)CCN1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H30ClN5O/c1-28(2)12-13-29-14-16-30(17-15-29)25(32)22-19-31(18-21-10-6-7-11-23(21)26)27-24(22)20-8-4-3-5-9-20/h3-11,19H,12-18H2,1-2H3/p+1