3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepan-1-ium chloride

Systemtic Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepan-1-ium chloride Openeye Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepan-1-ium chloride CAS Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepan-1-ium chloride IUPAC Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepan-1-ium chloride Traditional Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepan-1-ium chloride Formula: C18H26ClN MolecularWeight: 291.85874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC(C1)(C)C)CC#CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CC[NH+](CC(C1)(C)C)CC#CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H25N.ClH/c1-16-11-13-19(15-18(2,3)14-16)12-7-10-17-8-5-4-6-9-17;/h4-6,8-9,16H,11-15H2,1-3H3;1H