2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C22H32N4O/c1-16(2)25(17(3)4)15-14-23-22(27)13-12-21-18(5)24-26(19(21)6)20-10-8-7-9-11-20/h7-13,16-17H,14-15H2,1-6H3,(H,23,27)/p+1/b13-12+