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

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]propan-1-one Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S2/c26-22(24-14-12-23(13-15-24)17-20-9-16-29-18-20)8-5-19-3-6-21(7-4-19)30(27,28)25-10-1-2-11-25/h3-4,6-7,9,16,18H,1-2,5,8,10-15,17H2/p+1