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

Systemtic Name: (E)-2-(4-chlorophenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorophenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorophenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorophenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)acrylonitrile Formula: C22H19ClN3O+ MolecularWeight: 376.85876

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2/C=C(/C#N)\C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O/c23-20-7-5-16(6-8-20)19(15-24)14-18-13-17-3-1-2-4-21(17)25-22(18)26-9-11-27-12-10-26/h1-8,13-14H,9-12H2/p+1/b19-14-