(E)-3-(3,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dimethoxyphenyl)-N-[(2S)-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=CC(=CC(=C1)C=CC(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-25-17-12-16(13-18(14-17)26-2)5-6-21(24)22-15-19(20-4-3-11-28-20)23-7-9-27-10-8-23/h3-6,11-14,19H,7-10,15H2,1-2H3,(H,22,24)/p+1/b6-5+/t19-/m0/s1