3-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl-dipentyl-azaniumyl]propanoate

Systemtic Name: 3-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl-dipentyl-azaniumyl]propanoate Openeye Name: 3-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl-dipentyl-ammonio]propanoate CAS Name: 3-[2-(3-carboxy-1-oxopentadeca-4,6,8,10,12,14-hexaynoxy)propyl-dipentylammonio]propanoate IUPAC Name: 3-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl-dipentylazaniumyl]propanoate Traditional Name: 3-[diamyl-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl]ammonio]propionate Formula: C32H37NO6 MolecularWeight: 531.63928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CCCCC)(CCC(=O)[O-])CC(C)OC(=O)CC(C#CC#CC#CC#CC#CC#C)C(=O)O

Isomeric SMILES

CCCCC[N+](CCCCC)(CCC(=O)[O-])CC(C)OC(=O)CC(C#CC#CC#CC#CC#CC#C)C(=O)O

InChI

InChI=1S/C32H37NO6/c1-5-8-11-12-13-14-15-16-17-18-21-29(32(37)38)26-31(36)39-28(4)27-33(23-19-9-6-2,24-20-10-7-3)25-22-30(34)35/h1,28-29H,6-7,9-10,19-20,22-27H2,2-4H3,(H-,34,35,37,38)