N-[(Z)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]benzamide CAS Name: N-[(Z)-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxo-1-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]benzamide Formula: C29H30N5O3S+ MolecularWeight: 528.6452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3S/c35-28(22-8-3-1-4-9-22)31-25(29(36)30-13-14-33-15-17-37-18-16-33)20-23-21-34(24-10-5-2-6-11-24)32-27(23)26-12-7-19-38-26/h1-12,19-21H,13-18H2,(H,30,36)(H,31,35)/p+1/b25-20-