[7-[(dimethylazaniumyl)methyl]-8-oxidanylidene-8-(4-pentoxyphenyl)-2-(4-pentoxyphenyl)carbonyl-octyl]-dimethyl-azanium

Systemtic Name: [7-[(dimethylazaniumyl)methyl]-8-oxidanylidene-8-(4-pentoxyphenyl)-2-(4-pentoxyphenyl)carbonyl-octyl]-dimethyl-azanium Openeye Name: [7-[(dimethylammonio)methyl]-8-oxo-2-(4-pentoxybenzoyl)-8-(4-pentoxyphenyl)octyl]-dimethyl-ammonium CAS Name: [7-[(dimethylammonio)methyl]-8-oxo-2-[oxo-(4-pentoxyphenyl)methyl]-8-(4-pentoxyphenyl)octyl]-dimethylammonium IUPAC Name: [7-[(dimethylazaniumyl)methyl]-8-oxo-2-(4-pentoxybenzoyl)-8-(4-pentoxyphenyl)octyl]-dimethylazanium Traditional Name: [2-(4-amoxybenzoyl)-8-(4-amoxyphenyl)-7-[(dimethylammonio)methyl]-8-keto-octyl]-dimethyl-ammonium Formula: C36H58N2O4+2 MolecularWeight: 582.85672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(C[NH+](C)C)C(=O)C2=CC=C(C=C2)OCCCCC)C[NH+](C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(C[NH+](C)C)C(=O)C2=CC=C(C=C2)OCCCCC)C[NH+](C)C

InChI

InChI=1S/C36H56N2O4/c1-7-9-13-25-41-33-21-17-29(18-22-33)35(39)31(27-37(3)4)15-11-12-16-32(28-38(5)6)36(40)30-19-23-34(24-20-30)42-26-14-10-8-2/h17-24,31-32H,7-16,25-28H2,1-6H3/p+2