1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C22H29ClN3O3S2+ MolecularWeight: 483.06696

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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=C(S4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H28ClN3O3S2/c23-21-9-6-19(30-21)17-24-13-15-25(16-14-24)22(27)10-5-18-3-7-20(8-4-18)31(28,29)26-11-1-2-12-26/h3-4,6-9H,1-2,5,10-17H2/p+1