3-[4-azanyl-2,6-bis(chloranyl)phenoxy]propyl-dibutyl-but-3-ynyl-azanium

Systemtic Name: 3-[4-azanyl-2,6-bis(chloranyl)phenoxy]propyl-dibutyl-but-3-ynyl-azanium Openeye Name: 3-(4-amino-2,6-dichloro-phenoxy)propyl-dibutyl-but-3-ynyl-ammonium CAS Name: 3-(4-amino-2,6-dichlorophenoxy)propyl-dibutyl-but-3-ynylammonium IUPAC Name: 3-(4-amino-2,6-dichlorophenoxy)propyl-dibutyl-but-3-ynylazanium Traditional Name: 3-(4-amino-2,6-dichloro-phenoxy)propyl-dibutyl-but-3-ynyl-ammonium Formula: C21H33Cl2N2O+ MolecularWeight: 400.40552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCOC1=C(C=C(C=C1Cl)N)Cl)CCC#C

Isomeric SMILES

CCCC[N+](CCCC)(CCCOC1=C(C=C(C=C1Cl)N)Cl)CCC#C

InChI

InChI=1S/C21H33Cl2N2O/c1-4-7-11-25(12-8-5-2,13-9-6-3)14-10-15-26-21-19(22)16-18(24)17-20(21)23/h1,16-17H,5-15,24H2,2-3H3/q+1