4-[6-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-[2-(3-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C22H32N4O4S+2 MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S/c1-19-3-2-4-20(17-19)30-16-11-24-7-9-25(10-8-24)22-6-5-21(18-23-22)31(27,28)26-12-14-29-15-13-26/h2-6,17-18H,7-16H2,1H3/p+2