1-[(5-chloranyl-2-methoxy-phenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(5-chloro-2-methoxy-benzyl)-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C16H20ClN2O3S2+ MolecularWeight: 387.9246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19ClN2O3S2/c1-22-15-5-4-14(17)11-13(15)12-18-6-8-19(9-7-18)24(20,21)16-3-2-10-23-16/h2-5,10-11H,6-9,12H2,1H3/p+1