[6-(4-butoxyphenyl)-2-(4-butoxyphenyl)carbonyl-5-[(dipropylazaniumyl)methyl]-6-oxidanylidene-hexyl]-dipropyl-azanium

Systemtic Name: [6-(4-butoxyphenyl)-2-(4-butoxyphenyl)carbonyl-5-[(dipropylazaniumyl)methyl]-6-oxidanylidene-hexyl]-dipropyl-azanium Openeye Name: [2-(4-butoxybenzoyl)-6-(4-butoxyphenyl)-5-[(dipropylammonio)methyl]-6-oxo-hexyl]-dipropyl-ammonium CAS Name: [6-(4-butoxyphenyl)-2-[(4-butoxyphenyl)-oxomethyl]-5-[(dipropylammonio)methyl]-6-oxohexyl]-dipropylammonium IUPAC Name: [2-(4-butoxybenzoyl)-6-(4-butoxyphenyl)-5-[(dipropylazaniumyl)methyl]-6-oxohexyl]-dipropylazanium Traditional Name: [2-(4-butoxybenzoyl)-6-(4-butoxyphenyl)-5-[(dipropylammonio)methyl]-6-keto-hexyl]-dipropyl-ammonium Formula: C40H66N2O4+2 MolecularWeight: 638.96304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+](CCC)CCC)C(=O)C2=CC=C(C=C2)OCCCC)C[NH+](CCC)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+](CCC)CCC)C(=O)C2=CC=C(C=C2)OCCCC)C[NH+](CCC)CCC

InChI

InChI=1S/C40H64N2O4/c1-7-13-29-45-37-21-17-33(18-22-37)39(43)35(31-41(25-9-3)26-10-4)15-16-36(32-42(27-11-5)28-12-6)40(44)34-19-23-38(24-20-34)46-30-14-8-2/h17-24,35-36H,7-16,25-32H2,1-6H3/p+2