N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine ethanoate

Systemtic Name: N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine ethanoate Openeye Name: N-[(E)-(1,5-dimethyl-2-phenyl-pyrazol-3-ylidene)amino]-1,2-dimethyl-indol-1-ium-3-imine acetate CAS Name: N-[(E)-(1,5-dimethyl-2-phenyl-3-pyrazolylidene)amino]-1,2-dimethyl-3-indol-1-iumimine acetate IUPAC Name: N-[(E)-(1,5-dimethyl-2-phenylpyrazol-3-ylidene)amino]-1,2-dimethylindol-1-ium-3-imine acetate Traditional Name: (E)-(1,2-dimethylindol-1-ium-3-ylidene)-[(E)-(1,5-dimethyl-2-phenyl-3-pyrazolin-3-ylidene)amino]amine acetate Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN=C2C(=[N+](C3=CC=CC=C32)C)C)N(N1C)C4=CC=CC=C4.CC(=O)[O-]

Isomeric SMILES

CC1=C/C(=N\N=C/2\C(=[N+](C3=CC=CC=C32)C)C)/N(N1C)C4=CC=CC=C4.CC(=O)[O-]

InChI

InChI=1S/C21H22N5.C2H4O2/c1-15-14-20(26(25(15)4)17-10-6-5-7-11-17)22-23-21-16(2)24(3)19-13-9-8-12-18(19)21;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)/q+1;/p-1