(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-3-11-23-12-8-17(9-13-23)22-20(24)7-5-16-4-6-18(26-14-10-21)19(15-16)25-2/h4-7,15,17H,3,8-9,11-14H2,1-2H3,(H,22,24)/p+1/b7-5+