[2-(4-ethoxycarbonylpiperidin-1-yl)-5,8-dimethoxy-quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-5,8-dimethoxy-quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [2-(4-ethoxycarbonyl-1-piperidyl)-5,8-dimethoxy-3-quinolyl]methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperidinyl)-5,8-dimethoxy-3-quinolinyl]methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperidin-1-yl)-5,8-dimethoxyquinolin-3-yl]methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [2-(4-carbethoxypiperidino)-5,8-dimethoxy-3-quinolyl]methyl-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C26H37N4O5+ MolecularWeight: 485.59578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2C[NH2+]C4CCCCNC4=O)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C=CC(=C3C=C2C[NH2+][C@H]4CCCCNC4=O)OC)OC

InChI

InChI=1S/C26H36N4O5/c1-4-35-26(32)17-10-13-30(14-11-17)24-18(16-28-20-7-5-6-12-27-25(20)31)15-19-21(33-2)8-9-22(34-3)23(19)29-24/h8-9,15,17,20,28H,4-7,10-14,16H2,1-3H3,(H,27,31)/p+1/t20-/m0/s1