2-[2-[bis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]amino]-2-oxidanylidene-ethyl]decanoic acid

Systemtic Name: 2-[2-[bis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]amino]-2-oxidanylidene-ethyl]decanoic acid Openeye Name: 2-[2-[bis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]amino]-2-oxo-ethyl]decanoic acid CAS Name: 2-[2-[bis[2-(4-phenyl-1-pyridin-1-iumyl)ethyl]amino]-2-oxoethyl]decanoic acid IUPAC Name: 2-[2-[bis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]amino]-2-oxoethyl]decanoic acid Traditional Name: 2-[2-[bis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]amino]-2-keto-ethyl]capric acid Formula: C38H47N3O3+2 MolecularWeight: 593.79808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)N(CC[N+]1=CC=C(C=C1)C2=CC=CC=C2)CC[N+]3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCCCCC(CC(=O)N(CC[N+]1=CC=C(C=C1)C2=CC=CC=C2)CC[N+]3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C38H46N3O3/c1-2-3-4-5-6-9-18-36(38(43)44)31-37(42)41(29-27-39-23-19-34(20-24-39)32-14-10-7-11-15-32)30-28-40-25-21-35(22-26-40)33-16-12-8-13-17-33/h7-8,10-17,19-26,36H,2-6,9,18,27-31H2,1H3/q+1/p+1