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

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

Isomeric SMILES

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

InChI

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