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

Systemtic Name: 3-[[(Z)-2-benzamido-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(Z)-2-benzamido-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(Z)-2-benzamido-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(Z)-2-benzamido-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(Z)-2-benzamido-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]amino]propyl-dimethyl-ammonium Formula: C28H30N5O2S+ MolecularWeight: 500.6351

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C(=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H29N5O2S/c1-32(2)17-10-16-29-28(35)24(30-27(34)21-11-5-3-6-12-21)19-22-20-33(23-13-7-4-8-14-23)31-26(22)25-15-9-18-36-25/h3-9,11-15,18-20H,10,16-17H2,1-2H3,(H,29,35)(H,30,34)/p+1/b24-19-