(E)-3-(2-nitrophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-nitrophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(2-nitrophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(2-nitrophenyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(2-nitrophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(2-nitrophenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-2-11-19-12-9-15(10-13-19)18-17(21)8-7-14-5-3-4-6-16(14)20(22)23/h3-8,15H,2,9-13H2,1H3,(H,18,21)/p+1/b8-7+