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

Systemtic Name: 3-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c1-26(2)17-9-16-24-22(28)15-14-20-18-27(21-12-7-4-8-13-21)25-23(20)19-10-5-3-6-11-19/h3-8,10-15,18H,9,16-17H2,1-2H3,(H,24,28)/p+1/b15-14+