4-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C18H25N5O3S+2 MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H23N5O3S/c24-27(25,23-11-13-26-14-12-23)16-4-5-18(20-15-16)22-9-7-21(8-10-22)17-3-1-2-6-19-17/h1-6,15H,7-14H2/p+2