4-(4-chlorophenyl)but-3-ynyl-diethyl-heptyl-azanium chloride

Systemtic Name: 4-(4-chlorophenyl)but-3-ynyl-diethyl-heptyl-azanium chloride Openeye Name: 4-(4-chlorophenyl)but-3-ynyl-diethyl-heptyl-ammonium chloride CAS Name: 4-(4-chlorophenyl)but-3-ynyl-diethyl-heptylammonium chloride IUPAC Name: 4-(4-chlorophenyl)but-3-ynyl-diethyl-heptylazanium chloride Traditional Name: 4-(4-chlorophenyl)but-3-ynyl-diethyl-heptyl-ammonium chloride Formula: C21H33Cl2N MolecularWeight: 370.39942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCC#CC1=CC=C(C=C1)Cl.[Cl-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCC#CC1=CC=C(C=C1)Cl.[Cl-]

InChI

InChI=1S/C21H33ClN.ClH/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;/h14-17H,4-9,11-12,18-19H2,1-3H3;1H/q+1;/p-1