1-[3-[5-(3-piperidin-1-ium-1-ylprop-1-ynyl)-2,4-dipropoxy-phenyl]prop-2-ynyl]piperidin-1-ium

Systemtic Name: 1-[3-[5-(3-piperidin-1-ium-1-ylprop-1-ynyl)-2,4-dipropoxy-phenyl]prop-2-ynyl]piperidin-1-ium Openeye Name: 1-[3-[5-(3-piperidin-1-ium-1-ylprop-1-ynyl)-2,4-dipropoxy-phenyl]prop-2-ynyl]piperidin-1-ium CAS Name: 1-[3-[5-[3-(1-piperidin-1-iumyl)prop-1-ynyl]-2,4-dipropoxyphenyl]prop-2-ynyl]piperidin-1-ium IUPAC Name: 1-[3-[5-(3-piperidin-1-ium-1-ylprop-1-ynyl)-2,4-dipropoxyphenyl]prop-2-ynyl]piperidin-1-ium Traditional Name: 1-[3-[5-(3-piperidin-1-ium-1-ylprop-1-ynyl)-2,4-dipropoxy-phenyl]prop-2-ynyl]piperidin-1-ium Formula: C28H42N2O2+2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C#CC[NH+]2CCCCC2)C#CC[NH+]3CCCCC3)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1C#CC[NH+]2CCCCC2)C#CC[NH+]3CCCCC3)OCCC

InChI

InChI=1S/C28H40N2O2/c1-3-21-31-27-24-28(32-22-4-2)26(14-12-20-30-17-9-6-10-18-30)23-25(27)13-11-19-29-15-7-5-8-16-29/h23-24H,3-10,15-22H2,1-2H3/p+2