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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-morpholinosulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-morpholinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-morpholinosulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

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