N-tert-butyl-3-morpholin-4-yl-2-phenyl-imidazo[5,1-a]isoquinolin-4-ium-1-amine chloride

Systemtic Name: N-tert-butyl-3-morpholin-4-yl-2-phenyl-imidazo[5,1-a]isoquinolin-4-ium-1-amine chloride Openeye Name: N-tert-butyl-3-morpholino-2-phenyl-imidazo[5,1-a]isoquinolin-4-ium-1-amine chloride CAS Name: N-tert-butyl-3-(4-morpholinyl)-2-phenyl-1-imidazo[5,1-a]isoquinolin-4-iumamine chloride IUPAC Name: N-tert-butyl-3-morpholin-4-yl-2-phenylimidazo[5,1-a]isoquinolin-4-ium-1-amine chloride Traditional Name: tert-butyl-(3-morpholino-2-phenyl-imidaz[5,1-a]isoquinolin-4-ium-1-yl)amine chloride Formula: C25H29ClN4O MolecularWeight: 436.97696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C2C3=CC=CC=C3C=C[N+]2=C(N1C4=CC=CC=C4)N5CCOCC5.[Cl-]

Isomeric SMILES

CC(C)(C)NC1=C2C3=CC=CC=C3C=C[N+]2=C(N1C4=CC=CC=C4)N5CCOCC5.[Cl-]

InChI

InChI=1S/C25H29N4O.ClH/c1-25(2,3)26-23-22-21-12-8-7-9-19(21)13-14-28(22)24(27-15-17-30-18-16-27)29(23)20-10-5-4-6-11-20;/h4-14,26H,15-18H2,1-3H3;1H/q+1;/p-1