1-(1-benzothiophen-3-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C21H25N2O4S2+ MolecularWeight: 433.5642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H24N2O4S2/c1-26-17-7-8-19(27-2)21(13-17)29(24,25)23-11-9-22(10-12-23)14-16-15-28-20-6-4-3-5-18(16)20/h3-8,13,15H,9-12,14H2,1-2H3/p+1