(E)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylprop-2-enamide Traditional Name: (E)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-acrylamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-19-7-5-10-21-23(19)25-24(30-21)27(14-6-13-26-15-17-29-18-16-26)22(28)12-11-20-8-3-2-4-9-20/h2-5,7-12H,6,13-18H2,1H3/p+1/b12-11+