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

Systemtic Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=CC(=O)NN2CC[NH+](CC2)C)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C/C(=O)NN2CC[NH+](CC2)C)OC

InChI

InChI=1S/C19H29N3O3/c1-15(2)14-25-17-7-5-16(13-18(17)24-4)6-8-19(23)20-22-11-9-21(3)10-12-22/h5-8,13,15H,9-12,14H2,1-4H3,(H,20,23)/p+1/b8-6+