1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-methylphenyl)sulfonyl-propan-1-one Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(p-tolylsulfonyl)propan-1-one CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-(4-methylphenyl)sulfonyl-1-propanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-tosyl-propan-1-one Formula: C19H24ClN2O3S2+ MolecularWeight: 427.98846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN2O3S2/c1-15-2-5-17(6-3-15)27(24,25)13-8-19(23)22-11-9-21(10-12-22)14-16-4-7-18(20)26-16/h2-7H,8-14H2,1H3/p+1