8-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(trichloromethyl)quinazoline

Systemtic Name: 8-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(trichloromethyl)quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-methoxy-2-(trichloromethyl)quinazoline CAS Name: 8-methoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(trichloromethyl)quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-methoxy-2-(trichloromethyl)quinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-methoxy-2-(trichloromethyl)quinazoline Formula: C21H22Cl3N4O+ MolecularWeight: 452.78458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(N=C2N3CC[NH+](CC3)CC4=CC=CC=C4)C(Cl)(Cl)Cl

Isomeric SMILES

COC1=CC=CC2=C1N=C(N=C2N3CC[NH+](CC3)CC4=CC=CC=C4)C(Cl)(Cl)Cl

InChI

InChI=1S/C21H21Cl3N4O/c1-29-17-9-5-8-16-18(17)25-20(21(22,23)24)26-19(16)28-12-10-27(11-13-28)14-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3/p+1