2-cyclobutyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-quinazoline

Systemtic Name: 2-cyclobutyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-6,7-dimethoxy-quinazoline Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-cyclobutyl-6,7-dimethoxy-quinazoline CAS Name: 2-cyclobutyl-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-6,7-dimethoxyquinazoline IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-cyclobutyl-6,7-dimethoxyquinazoline Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-2-cyclobutyl-6,7-dimethoxy-quinazoline Formula: C31H35N4O2+ MolecularWeight: 495.6352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3CCC3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)OC

InChI

InChI=1S/C31H34N4O2/c1-36-27-20-25-26(21-28(27)37-2)32-30(24-14-9-15-24)33-31(25)35-18-16-34(17-19-35)29(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,20-21,24,29H,9,14-19H2,1-2H3/p+1