4-[3-[1-methyl-3,5-bis(3-morpholin-4-ium-4-ylprop-1-ynyl)pyrazol-4-yl]prop-2-ynyl]morpholin-4-ium

Systemtic Name: 4-[3-[1-methyl-3,5-bis(3-morpholin-4-ium-4-ylprop-1-ynyl)pyrazol-4-yl]prop-2-ynyl]morpholin-4-ium Openeye Name: 4-[3-[1-methyl-3,5-bis(3-morpholin-4-ium-4-ylprop-1-ynyl)pyrazol-4-yl]prop-2-ynyl]morpholin-4-ium CAS Name: 4-[3-[1-methyl-3,5-bis[3-(4-morpholin-4-iumyl)prop-1-ynyl]-4-pyrazolyl]prop-2-ynyl]morpholin-4-ium IUPAC Name: 4-[3-[1-methyl-3,5-bis(3-morpholin-4-ium-4-ylprop-1-ynyl)pyrazol-4-yl]prop-2-ynyl]morpholin-4-ium Traditional Name: 4-[3-[1-methyl-3,5-bis(3-morpholin-4-ium-4-ylprop-1-ynyl)pyrazol-4-yl]prop-2-ynyl]morpholin-4-ium Formula: C25H36N5O3+3 MolecularWeight: 454.58504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C#CC[NH+]2CCOCC2)C#CC[NH+]3CCOCC3)C#CC[NH+]4CCOCC4

Isomeric SMILES

CN1C(=C(C(=N1)C#CC[NH+]2CCOCC2)C#CC[NH+]3CCOCC3)C#CC[NH+]4CCOCC4

InChI

InChI=1S/C25H33N5O3/c1-27-25(7-4-10-30-15-21-33-22-16-30)23(5-2-8-28-11-17-31-18-12-28)24(26-27)6-3-9-29-13-19-32-20-14-29/h8-22H2,1H3/p+3