1-morpholin-4-yl-3-[12-(3-morpholin-4-yl-2-oxidanyl-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propan-2-ol dichloride hydrate

Systemtic Name: 1-morpholin-4-yl-3-[12-(3-morpholin-4-yl-2-oxidanyl-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propan-2-ol dichloride hydrate Openeye Name: 1-[12-(2-hydroxy-3-morpholino-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-3-morpholino-propan-2-ol dichloride hydrate CAS Name: 1-[12-[2-hydroxy-3-(4-morpholinyl)propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-3-(4-morpholinyl)-2-propanol dichloride hydrate IUPAC Name: 1-[12-(2-hydroxy-3-morpholin-4-ylpropyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-3-morpholin-4-ylpropan-2-ol dichloride hydrate Traditional Name: 1-[12-(2-hydroxy-3-morpholino-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]-3-morpholino-propan-2-ol dichloride hydrate Formula: C26H54Cl2N6O5 MolecularWeight: 601.65016

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC(CN3CCOCC3)O)CC[N+]4(CCN(CC4)CC(CN5CCOCC5)O)CC2.O.[Cl-].[Cl-]

Isomeric SMILES

C1C[N+]2(CCN1CC(CN3CCOCC3)O)CC[N+]4(CCN(CC4)CC(CN5CCOCC5)O)CC2.O.[Cl-].[Cl-]

InChI

InChI=1S/C26H52N6O4.2ClH.H2O/c33-25(23-29-5-17-35-18-6-29)21-27-1-9-31(10-2-27)13-15-32(16-14-31)11-3-28(4-12-32)22-26(34)24-30-7-19-36-20-8-30;;;/h25-26,33-34H,1-24H2;2*1H;1H2/q+2;;;/p-2