1-adamantyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl]azanium Openeye Name: 1-adamantyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl]azanium Traditional Name: 1-adamantyl-[[2-(4-carbethoxypiperazino)-6-methyl-3-quinolyl]methyl]ammonium Formula: C28H39N4O2+ MolecularWeight: 463.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H38N4O2/c1-3-34-27(33)32-8-6-31(7-9-32)26-24(14-23-10-19(2)4-5-25(23)30-26)18-29-28-15-20-11-21(16-28)13-22(12-20)17-28/h4-5,10,14,20-22,29H,3,6-9,11-13,15-18H2,1-2H3/p+1