[5-(4-bromophenyl)-5-oxidanyl-5-phenyl-pent-2-ynyl]-diethyl-azanium

Systemtic Name: [5-(4-bromophenyl)-5-oxidanyl-5-phenyl-pent-2-ynyl]-diethyl-azanium Openeye Name: [5-(4-bromophenyl)-5-hydroxy-5-phenyl-pent-2-ynyl]-diethyl-ammonium CAS Name: [5-(4-bromophenyl)-5-hydroxy-5-phenylpent-2-ynyl]-diethylammonium IUPAC Name: [5-(4-bromophenyl)-5-hydroxy-5-phenylpent-2-ynyl]-diethylazanium Traditional Name: [5-(4-bromophenyl)-5-hydroxy-5-phenyl-pent-2-ynyl]-diethyl-ammonium Formula: C21H25BrNO+ MolecularWeight: 387.3333

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC[NH+](CC)CC#CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H24BrNO/c1-3-23(4-2)17-9-8-16-21(24,18-10-6-5-7-11-18)19-12-14-20(22)15-13-19/h5-7,10-15,24H,3-4,16-17H2,1-2H3/p+1