2-[4-(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(6,7-dimethoxy-2-phenyl-4-quinazolinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(6,7-dimethoxy-2-phenyl-quinazolin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H32N5O3+ MolecularWeight: 462.56398

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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)CC(=O)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)N5CCCC5)OC

InChI

InChI=1S/C26H31N5O3/c1-33-22-16-20-21(17-23(22)34-2)27-25(19-8-4-3-5-9-19)28-26(20)31-14-12-29(13-15-31)18-24(32)30-10-6-7-11-30/h3-5,8-9,16-17H,6-7,10-15,18H2,1-2H3/p+1