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

Systemtic Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-pyrimido[6,1-a]isoquinolin-5-ium-1-amine Openeye Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-pyrimido[6,1-a]isoquinolin-5-ium-1-amine CAS Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenyl-1-pyrimido[6,1-a]isoquinolin-5-iumamine IUPAC Name: N-tert-butyl-4-(4-chlorophenyl)-2-phenylpyrimido[6,1-a]isoquinolin-5-ium-1-amine Traditional Name: tert-butyl-[4-(4-chlorophenyl)-2-phenyl-pyrimid[6,1-a]isoquinolin-5-ium-1-yl]amine Formula: C28H25ClN3+ MolecularWeight: 438.9712

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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

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

InChI

InChI=1S/C28H25ClN3/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/q+1