2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+](C)CCNC(=O)/C(=C/C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H23N5O/c1-27(2)14-13-25-23(29)19(16-24)15-20-17-28(21-11-7-4-8-12-21)26-22(20)18-9-5-3-6-10-18/h3-12,15,17H,13-14H2,1-2H3,(H,25,29)/p+1/b19-15+