2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]ammonium CAS Name: 2-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]ethyl]ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-16(2)23(17(3)4)13-12-21-20(25)11-10-18-14-22-24(15-18)19-8-6-5-7-9-19/h5-11,14-17H,12-13H2,1-4H3,(H,21,25)/p+1/b11-10+