6-(3-azanyl-4-butoxy-phenyl)hexyl-hexyl-methyl-propyl-azanium chloride

Systemtic Name: 6-(3-azanyl-4-butoxy-phenyl)hexyl-hexyl-methyl-propyl-azanium chloride Openeye Name: 6-(3-amino-4-butoxy-phenyl)hexyl-hexyl-methyl-propyl-ammonium chloride CAS Name: 6-(3-amino-4-butoxyphenyl)hexyl-hexyl-methyl-propylammonium chloride IUPAC Name: 6-(3-amino-4-butoxyphenyl)hexyl-hexyl-methyl-propylazanium chloride Traditional Name: 6-(3-amino-4-butoxy-phenyl)hexyl-hexyl-methyl-propyl-ammonium chloride Formula: C26H49ClN2O MolecularWeight: 441.13306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(CCC)CCCCCCC1=CC(=C(C=C1)OCCCC)N.[Cl-]

Isomeric SMILES

CCCCCC[N+](C)(CCC)CCCCCCC1=CC(=C(C=C1)OCCCC)N.[Cl-]

InChI

InChI=1S/C26H49N2O.ClH/c1-5-8-10-14-20-28(4,19-7-3)21-15-12-11-13-16-24-17-18-26(25(27)23-24)29-22-9-6-2;/h17-18,23H,5-16,19-22,27H2,1-4H3;1H/q+1;/p-1