4-chloranyl-N-[3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3-(pyridin-1-ium-3-ylmethylamino)prop-1-en-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3-(pyridin-1-ium-3-ylmethylamino)prop-1-en-2-yl]benzamide Openeye Name: 4-chloro-N-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1-(pyridin-1-ium-3-ylmethylcarbamoyl)vinyl]benzamide CAS Name: 4-chloro-N-[3-oxo-1-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-3-(3-pyridin-1-iumylmethylamino)prop-1-en-2-yl]benzamide IUPAC Name: 4-chloro-N-[3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3-(pyridin-1-ium-3-ylmethylamino)prop-1-en-2-yl]benzamide Traditional Name: 4-chloro-N-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1-(pyridin-1-ium-3-ylmethylcarbamoyl)vinyl]benzamide Formula: C29H23ClN5O2S+ MolecularWeight: 541.04322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C(=O)NCC4=C[NH+]=CC=C4)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C(=O)NCC4=C[NH+]=CC=C4)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H22ClN5O2S/c30-23-12-10-21(11-13-23)28(36)33-25(29(37)32-18-20-6-4-14-31-17-20)16-22-19-35(24-7-2-1-3-8-24)34-27(22)26-9-5-15-38-26/h1-17,19H,18H2,(H,32,37)(H,33,36)/p+1