3-[[(E)-2-benzamido-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(E)-2-benzamido-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-2-benzamido-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-2-benzamido-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-2-benzamido-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-2-benzamido-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]propyl-dimethyl-ammonium Formula: C30H31BrN5O2+ MolecularWeight: 573.50344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C(=C\C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H30BrN5O2/c1-35(2)19-9-18-32-30(38)27(33-29(37)23-10-5-3-6-11-23)20-24-21-36(26-12-7-4-8-13-26)34-28(24)22-14-16-25(31)17-15-22/h3-8,10-17,20-21H,9,18-19H2,1-2H3,(H,32,38)(H,33,37)/p+1/b27-20+