(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C20H30ClN2O3+ MolecularWeight: 381.9168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O3/c1-4-10-23-11-8-16(9-12-23)22-19(24)7-6-15-13-17(21)20(26-5-2)18(14-15)25-3/h6-7,13-14,16H,4-5,8-12H2,1-3H3,(H,22,24)/p+1/b7-6+