N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-pyrimido[6,1-a]isoquinolin-5-ium-1-amine chloride

Systemtic Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-pyrimido[6,1-a]isoquinolin-5-ium-1-amine chloride Openeye Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-pyrimido[6,1-a]isoquinolin-5-ium-1-amine chloride CAS Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-1-pyrimido[6,1-a]isoquinolin-5-iumamine chloride IUPAC Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenylpyrimido[6,1-a]isoquinolin-5-ium-1-amine chloride Traditional Name: tert-butyl-[4-(4-chlorophenyl)-2-phenyl-pyrimid[6,1-a]isoquinolin-5-ium-1-yl]amine chloride Formula: C28H25Cl2N3 MolecularWeight: 474.4242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C2C3=CC=CC=C3C=C[N+]2=C(N=C1C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[Cl-]

Isomeric SMILES

CC(C)(C)NC1=C2C3=CC=CC=C3C=C[N+]2=C(N=C1C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[Cl-]

InChI

InChI=1S/C28H25ClN3.ClH/c1-28(2,3)31-25-24(20-10-5-4-6-11-20)30-27(21-13-15-22(29)16-14-21)32-18-17-19-9-7-8-12-23(19)26(25)32;/h4-18,31H,1-3H3;1H/q+1;/p-1