(E)-2-(4-methylphenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-morpholinoquinolin-1-ium-3-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-morpholinoquinolin-1-ium-3-yl)-2-tosyl-acrylonitrile Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4)/C#N

InChI

InChI=1S/C23H21N3O3S/c1-17-6-8-20(9-7-17)30(27,28)21(16-24)15-19-14-18-4-2-3-5-22(18)25-23(19)26-10-12-29-13-11-26/h2-9,14-15H,10-13H2,1H3/p+1/b21-15+