4-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H31N3O3S/c30-33(31,29-15-17-32-18-16-29)25-9-3-5-22(19-25)20-27-11-13-28(14-12-27)21-24-8-4-7-23-6-1-2-10-26(23)24/h1-10,19H,11-18,20-21H2/p+1