1-[3-(3,4-dichlorophenyl)prop-2-ynyl]-3-phenyl-piperidin-1-ium chloride

Systemtic Name: 1-[3-(3,4-dichlorophenyl)prop-2-ynyl]-3-phenyl-piperidin-1-ium chloride Openeye Name: 1-[3-(3,4-dichlorophenyl)prop-2-ynyl]-3-phenyl-piperidin-1-ium chloride CAS Name: 1-[3-(3,4-dichlorophenyl)prop-2-ynyl]-3-phenylpiperidin-1-ium chloride IUPAC Name: 1-[3-(3,4-dichlorophenyl)prop-2-ynyl]-3-phenylpiperidin-1-ium chloride Traditional Name: 1-[3-(3,4-dichlorophenyl)prop-2-ynyl]-3-phenyl-piperidin-1-ium chloride Formula: C20H20Cl3N MolecularWeight: 380.7385

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC(C[NH+](C1)CC#CC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H19Cl2N.ClH/c21-19-11-10-16(14-20(19)22)6-4-12-23-13-5-9-18(15-23)17-7-2-1-3-8-17;/h1-3,7-8,10-11,14,18H,5,9,12-13,15H2;1H