1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Formula: C25H27N2O4S+ MolecularWeight: 451.55788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H26N2O4S/c28-32(29,22-11-12-23-24(19-22)31-18-17-30-23)27-15-13-26(14-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,25H,13-18H2/p+1