(3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-pyrrolidinosulfonylphenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H25N3O3S2/c24-20(22-11-9-21(10-12-22)15-17-6-13-27-16-17)18-4-3-5-19(14-18)28(25,26)23-7-1-2-8-23/h3-6,13-14,16H,1-2,7-12,15H2/p+1