(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(3-pyrrolidinosulfonylphenyl)methanone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N4O3S/c25-20(23-14-12-22(13-15-23)19-8-1-2-9-21-19)17-6-5-7-18(16-17)28(26,27)24-10-3-4-11-24/h1-2,5-9,16H,3-4,10-15H2/p+1