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

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C20H25ClN3O3S2+ MolecularWeight: 455.0138

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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=C(S4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S2/c21-19-7-6-17(28-19)15-22-10-12-23(13-11-22)20(25)16-4-3-5-18(14-16)29(26,27)24-8-1-2-9-24/h3-7,14H,1-2,8-13,15H2/p+1