4-[(E)-2-(2-ethyl-1-phenyl-pyrazol-2-ium-3-yl)ethenyl]-N,N-dimethyl-aniline perchlorate

Systemtic Name: 4-[(E)-2-(2-ethyl-1-phenyl-pyrazol-2-ium-3-yl)ethenyl]-N,N-dimethyl-aniline perchlorate Openeye Name: 4-[(E)-2-(2-ethyl-1-phenyl-pyrazol-2-ium-3-yl)vinyl]-N,N-dimethyl-aniline perchlorate CAS Name: 4-[(E)-2-(2-ethyl-1-phenyl-3-pyrazol-2-iumyl)ethenyl]-N,N-dimethylaniline perchlorate IUPAC Name: 4-[(E)-2-(2-ethyl-1-phenylpyrazol-2-ium-3-yl)ethenyl]-N,N-dimethylaniline perchlorate Traditional Name: [4-[(E)-2-(2-ethyl-1-phenyl-pyrazol-2-ium-3-yl)vinyl]phenyl]-dimethyl-amine perchlorate Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CN1C2=CC=CC=C2)C=CC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(C=CN1C2=CC=CC=C2)/C=C/C3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H24N3.ClHO4/c1-4-23-21(16-17-24(23)20-8-6-5-7-9-20)15-12-18-10-13-19(14-11-18)22(2)3;2-1(3,4)5/h5-17H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1