(E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylprop-2-enamide Traditional Name: (E)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-acrylamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-18-16-21-22(17-19(18)2)30-24(25-21)27(11-10-26-12-14-29-15-13-26)23(28)9-8-20-6-4-3-5-7-20/h3-9,16-17H,10-15H2,1-2H3/p+1/b9-8+