cyclohexyl-[[4-(4-ethoxycarbonylpiperazin-1-yl)-8-methyl-quinazolin-2-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[4-(4-ethoxycarbonylpiperazin-1-yl)-8-methyl-quinazolin-2-yl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[4-(4-ethoxycarbonylpiperazin-1-yl)-8-methyl-quinazolin-2-yl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[4-(4-ethoxycarbonyl-1-piperazinyl)-8-methyl-2-quinazolinyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[4-(4-ethoxycarbonylpiperazin-1-yl)-8-methylquinazolin-2-yl]methyl]-prop-2-ynylazanium Traditional Name: [4-(4-carbethoxypiperazino)-8-methyl-quinazolin-2-yl]methyl-cyclohexyl-propargyl-ammonium Formula: C26H36N5O2+ MolecularWeight: 450.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=CC=C3C)C[NH+](CC#C)C4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=CC=C3C)C[NH+](CC#C)C4CCCCC4

InChI

InChI=1S/C26H35N5O2/c1-4-14-31(21-11-7-6-8-12-21)19-23-27-24-20(3)10-9-13-22(24)25(28-23)29-15-17-30(18-16-29)26(32)33-5-2/h1,9-10,13,21H,5-8,11-12,14-19H2,2-3H3/p+1