cyclooctyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl]azanium Openeye Name: cyclooctyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: cyclooctyl-[[2-(4-ethoxycarbonyl-1-piperazinyl)-6,7-dimethoxy-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: cyclooctyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxyquinolin-1-ium-3-yl]methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6,7-dimethoxy-quinolin-1-ium-3-yl]methyl-cyclooctyl-ammonium Formula: C27H42N4O4+2 MolecularWeight: 486.64678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=[NH+]2)OC)OC)C[NH2+]C4CCCCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=[NH+]2)OC)OC)C[NH2+]C4CCCCCCC4

InChI

InChI=1S/C27H40N4O4/c1-4-35-27(32)31-14-12-30(13-15-31)26-21(19-28-22-10-8-6-5-7-9-11-22)16-20-17-24(33-2)25(34-3)18-23(20)29-26/h16-18,22,28H,4-15,19H2,1-3H3/p+2