4-phenethylspiro[1,4-diazinan-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium] chloride

Systemtic Name: 4-phenethylspiro[1,4-diazinan-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium] chloride Openeye Name: 4-phenethylspiro[1,4-diazinan-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium] chloride CAS Name: 4-phenethylspiro[1,4-diazinan-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium] chloride IUPAC Name: 4-phenethylspiro[1,4-diazinan-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium] chloride Traditional Name: 4-phenethylspiro[1,4-diazinan-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium] chloride Formula: C21H27ClN2 MolecularWeight: 342.90548

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN(CC2)CCC3=CC=CC=C3)CC4=CC=CC=C41.[Cl-]

Isomeric SMILES

C1C[N+]2(CCN(CC2)CCC3=CC=CC=C3)CC4=CC=CC=C41.[Cl-]

InChI

InChI=1S/C21H27N2.ClH/c1-2-6-19(7-3-1)10-12-22-13-16-23(17-14-22)15-11-20-8-4-5-9-21(20)18-23;/h1-9H,10-18H2;1H/q+1;/p-1