[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-diethyl-(3-phenylprop-2-ynyl)azanium

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-diethyl-(3-phenylprop-2-ynyl)azanium Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl]-diethyl-(3-phenylprop-2-ynyl)ammonium CAS Name: [2-(4-chlorophenyl)-2-oxoethyl]-diethyl-(3-phenylprop-2-ynyl)ammonium IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl]-diethyl-(3-phenylprop-2-ynyl)azanium Traditional Name: [2-(4-chlorophenyl)-2-keto-ethyl]-diethyl-(3-phenylprop-2-ynyl)ammonium Formula: C21H23ClNO+ MolecularWeight: 340.86642

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC#CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC[N+](CC)(CC#CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClNO/c1-3-23(4-2,16-8-11-18-9-6-5-7-10-18)17-21(24)19-12-14-20(22)15-13-19/h5-7,9-10,12-15H,3-4,16-17H2,1-2H3/q+1