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

Systemtic Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylprop-2-enamide Traditional Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-acrylamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-18-7-9-20-21(17-18)29-23(24-20)26(12-11-25-13-15-28-16-14-25)22(27)10-8-19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3/p+1/b10-8+