4-(4-cyclohexylpiperazin-4-ium-1-yl)-6,7-dimethoxy-2-phenyl-quinazoline

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-6,7-dimethoxy-2-phenyl-quinazoline Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-6,7-dimethoxy-2-phenyl-quinazoline CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-6,7-dimethoxy-2-phenylquinazoline IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-6,7-dimethoxy-2-phenylquinazoline Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-6,7-dimethoxy-2-phenyl-quinazoline Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)C5CCCCC5)OC

InChI

InChI=1S/C26H32N4O2/c1-31-23-17-21-22(18-24(23)32-2)27-25(19-9-5-3-6-10-19)28-26(21)30-15-13-29(14-16-30)20-11-7-4-8-12-20/h3,5-6,9-10,17-18,20H,4,7-8,11-16H2,1-2H3/p+1