(E)-1-(4-tert-butylphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-en-1-one CAS Name: (E)-1-(4-tert-butylphenyl)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(2-morpholinoquinolin-1-ium-3-yl)prop-2-en-1-one Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CC2=CC3=CC=CC=C3[NH+]=C2N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O2/c1-26(2,3)22-11-8-19(9-12-22)24(29)13-10-21-18-20-6-4-5-7-23(20)27-25(21)28-14-16-30-17-15-28/h4-13,18H,14-17H2,1-3H3/p+1/b13-10+