4-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C23H31N3O3S/c1-19-5-3-8-23(20(19)2)25-11-9-24(10-12-25)18-21-6-4-7-22(17-21)30(27,28)26-13-15-29-16-14-26/h3-8,17H,9-16,18H2,1-2H3/p+1