N-[(E)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[(E)-3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-(3-pyridyl)vinyl]benzamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C(=CC2=CN=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)/C(=C\C2=CN=CC=C2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c26-14-13-24-9-11-25(12-10-24)21(28)19(15-17-5-4-8-22-16-17)23-20(27)18-6-2-1-3-7-18/h1-8,15-16,26H,9-14H2,(H,23,27)/p+1/b19-15+