1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[(4-isopropylphenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(4-isopropylbenzyl)piperazin-4-ium Formula: C18H24ClN2O2S2+ MolecularWeight: 399.97836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H23ClN2O2S2/c1-14(2)16-5-3-15(4-6-16)13-20-9-11-21(12-10-20)25(22,23)18-8-7-17(19)24-18/h3-8,14H,9-13H2,1-2H3/p+1