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

Systemtic Name: [8-(4-butoxyphenyl)-2-(4-butoxyphenyl)carbonyl-7-[(dimethylazaniumyl)methyl]-8-oxidanylidene-octyl]-dimethyl-azanium Openeye Name: [2-(4-butoxybenzoyl)-8-(4-butoxyphenyl)-7-[(dimethylammonio)methyl]-8-oxo-octyl]-dimethyl-ammonium CAS Name: [8-(4-butoxyphenyl)-2-[(4-butoxyphenyl)-oxomethyl]-7-[(dimethylammonio)methyl]-8-oxooctyl]-dimethylammonium IUPAC Name: [2-(4-butoxybenzoyl)-8-(4-butoxyphenyl)-7-[(dimethylazaniumyl)methyl]-8-oxooctyl]-dimethylazanium Traditional Name: [2-(4-butoxybenzoyl)-8-(4-butoxyphenyl)-7-[(dimethylammonio)methyl]-8-keto-octyl]-dimethyl-ammonium Formula: C34H54N2O4+2 MolecularWeight: 554.80356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H52N2O4/c1-7-9-23-39-31-19-15-27(16-20-31)33(37)29(25-35(3)4)13-11-12-14-30(26-36(5)6)34(38)28-17-21-32(22-18-28)40-24-10-8-2/h15-22,29-30H,7-14,23-26H2,1-6H3/p+2