(1E)-1-[(2E,4E)-5-(1,2,3,4-tetrahydroquinolin-2-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinolin-2-ium chloride hydrate

Systemtic Name: (1E)-1-[(2E,4E)-5-(1,2,3,4-tetrahydroquinolin-2-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinolin-2-ium chloride hydrate Openeye Name: (1E)-1-[(2E,4E)-5-(1,2,3,4-tetrahydroquinolin-2-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinolin-2-ium chloride hydrate CAS Name: (1E)-1-[(2E,4E)-5-(1,2,3,4-tetrahydroquinolin-2-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinolin-2-ium chloride hydrate IUPAC Name: (1E)-1-[(2E,4E)-5-(1,2,3,4-tetrahydroquinolin-2-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinolin-2-ium chloride hydrate Traditional Name: (1E)-1-[(2E,4E)-5-(1,2,3,4-tetrahydroquinolin-2-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinolin-2-ium chloride hydrate Formula: C23H27ClN2O MolecularWeight: 382.92628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC1C=CC=CC=C3C4=CC=CC=C4CC[NH2+]3.O.[Cl-]

Isomeric SMILES

C1CC2=CC=CC=C2NC1/C=C/C=C/C=C/3\C4=CC=CC=C4CC[NH2+]3.O.[Cl-]

InChI

InChI=1S/C23H24N2.ClH.H2O/c1(2-10-20-15-14-19-9-5-7-12-22(19)25-20)3-13-23-21-11-6-4-8-18(21)16-17-24-23;;/h1-13,20,24-25H,14-17H2;1H;1H2/b3-1+,10-2+,23-13+;;