[(E)-4-(3-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium chloride

Systemtic Name: [(E)-4-(3-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium chloride Openeye Name: [(E)-4-(3-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium chloride CAS Name: [(E)-4-(3-chlorophenyl)but-2-enyl]-diethyl-heptylammonium chloride IUPAC Name: [(E)-4-(3-chlorophenyl)but-2-enyl]-diethyl-heptylazanium chloride Traditional Name: [(E)-4-(3-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium chloride Formula: C21H35Cl2N MolecularWeight: 372.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC(=CC=C1)Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN.ClH/c1-4-7-8-9-11-17-23(5-2,6-3)18-12-10-14-20-15-13-16-21(22)19-20;/h10,12-13,15-16,19H,4-9,11,14,17-18H2,1-3H3;1H/q+1;/p-1/b12-10+;