1-[4-(4-chloranylphenoxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(4-chloranylphenoxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(4-chlorophenoxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium Formula: C15H21ClN2O+2 MolecularWeight: 280.79304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC#CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC#CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN2O/c1-17-9-11-18(12-10-17)8-2-3-13-19-15-6-4-14(16)5-7-15/h4-7H,8-13H2,1H3/p+2