(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-isopropoxy-3-methoxy-phenyl)acrylamide Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C25H32N2O3/c1-19(2)30-23-11-9-20(17-24(23)29-3)10-12-25(28)26-22-13-15-27(16-14-22)18-21-7-5-4-6-8-21/h4-12,17,19,22H,13-16,18H2,1-3H3,(H,26,28)/p+1/b12-10+