1-[3-(4-chloranylphenoxy)propyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[3-(4-chloranylphenoxy)propyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[3-(4-chlorophenoxy)propyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[3-(4-chlorophenoxy)propyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[3-(4-chlorophenoxy)propyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)propyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H22ClN2O3S2+ MolecularWeight: 401.95118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21ClN2O3S2/c18-15-4-6-16(7-5-15)23-13-2-8-19-9-11-20(12-10-19)25(21,22)17-3-1-14-24-17/h1,3-7,14H,2,8-13H2/p+1