(4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-morpholinosulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(4-morpholinylsulfonyl)phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-morpholinosulfonylphenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H24N4O4S/c25-20(23-11-9-22(10-12-23)18-5-7-21-8-6-18)17-1-3-19(4-2-17)29(26,27)24-13-15-28-16-14-24/h1-8H,9-16H2/p+1