4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-propan-2-yloxyphenyl)quinazoline

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-propan-2-yloxyphenyl)quinazoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(4-isopropoxyphenyl)quinazoline CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(4-propan-2-yloxyphenyl)quinazoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(4-propan-2-yloxyphenyl)quinazoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(4-isopropoxyphenyl)quinazoline Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O/c1-21(2)33-24-14-12-23(13-15-24)27-29-26-11-7-6-10-25(26)28(30-27)32-18-16-31(17-19-32)20-22-8-4-3-5-9-22/h3-15,21H,16-20H2,1-2H3/p+1