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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxy-3-quinolyl]methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6,7-dimethoxy-3-quinolinyl]methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6,7-dimethoxyquinolin-3-yl]methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6,7-dimethoxy-3-quinolyl]methyl-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C25H36N5O5+ MolecularWeight: 486.58384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)C[NH2+]C4CCCCNC4=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)C[NH2+][C@H]4CCCCNC4=O

InChI

InChI=1S/C25H35N5O5/c1-4-35-25(32)30-11-9-29(10-12-30)23-18(16-27-19-7-5-6-8-26-24(19)31)13-17-14-21(33-2)22(34-3)15-20(17)28-23/h13-15,19,27H,4-12,16H2,1-3H3,(H,26,31)/p+1/t19-/m0/s1