1-[(5-chloranylthiophen-2-yl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(2-methoxy-5-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C17H22ClN2O3S2+ MolecularWeight: 401.95118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3S2/c1-13-3-5-15(23-2)16(11-13)25(21,22)20-9-7-19(8-10-20)12-14-4-6-17(18)24-14/h3-6,11H,7-10,12H2,1-2H3/p+1