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

Systemtic Name: 2-carboxyethyl-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl]-dipentyl-azanium Openeye Name: 2-carboxyethyl-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl]-dipentyl-ammonium CAS Name: 2-carboxyethyl-[2-(3-carboxy-1-oxopentadeca-4,6,8,10,12,14-hexaynoxy)propyl]-dipentylammonium IUPAC Name: 2-carboxyethyl-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl]-dipentylazanium Traditional Name: diamyl-(2-carboxyethyl)-[2-(3-carboxypentadeca-4,6,8,10,12,14-hexaynoyloxy)propyl]ammonium Formula: C32H38NO6+ MolecularWeight: 532.64722

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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)/p+1