cyclohexyl-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]quinazolin-2-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]quinazolin-2-yl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]quinazolin-2-yl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-quinazolinyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]quinazolin-2-yl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[[4-[4-(2-furoyl)piperazino]quinazolin-2-yl]methyl]-propargyl-ammonium Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+](CC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)C5CCCCC5

Isomeric SMILES

C#CC[NH+](CC1=NC2=CC=CC=C2C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)C5CCCCC5

InChI

InChI=1S/C27H31N5O2/c1-2-14-32(21-9-4-3-5-10-21)20-25-28-23-12-7-6-11-22(23)26(29-25)30-15-17-31(18-16-30)27(33)24-13-8-19-34-24/h1,6-8,11-13,19,21H,3-5,9-10,14-18,20H2/p+1