(2Z)-3-butyl-2-[(E)-3-(1-butylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole

Systemtic Name: (2Z)-3-butyl-2-[(E)-3-(1-butylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Openeye Name: (2Z)-3-butyl-2-[(E)-3-(1-butylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole CAS Name: (2Z)-3-butyl-2-[(E)-3-(1-butyl-2-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzoxazole IUPAC Name: (2Z)-3-butyl-2-[(E)-3-(1-butylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Traditional Name: (2Z)-3-butyl-2-[(E)-3-(1-butylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4C=C3)CCCC

Isomeric SMILES

CCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4C=C3)CCCC

InChI

InChI=1S/C27H31N2O/c1-3-5-20-28-23(19-18-22-12-7-8-14-24(22)28)13-11-17-27-29(21-6-4-2)25-15-9-10-16-26(25)30-27/h7-19H,3-6,20-21H2,1-2H3/q+1