[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazino]-phenyl-methanone Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CC=C4

InChI

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