(3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-pyrrolidinosulfonylphenyl)-[4-(2-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=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

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