2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-N-(phenylmethyl)quinazolin-4-amine

Systemtic Name: 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-4-amine CAS Name: 2-[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-4-amine Traditional Name: benzyl-[2-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]quinazolin-4-yl]amine Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

InChI

InChI=1S/C28H31N5O/c1-22-11-13-24(14-12-22)34-20-19-32-15-17-33(18-16-32)28-30-26-10-6-5-9-25(26)27(31-28)29-21-23-7-3-2-4-8-23/h2-14H,15-21H2,1H3,(H,29,30,31)/p+1