(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acrylamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC[C@H](C2=CC=CS2)[NH+]3CCOCC3)OC

InChI

InChI=1S/C21H26N2O4S/c1-25-18-7-5-16(14-19(18)26-2)6-8-21(24)22-15-17(20-4-3-13-28-20)23-9-11-27-12-10-23/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,22,24)/p+1/b8-6+/t17-/m1/s1