2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dibenzyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N3O5S+ MolecularWeight: 522.63578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H31N3O5S/c32-28(30(20-23-7-3-1-4-8-23)21-24-9-5-2-6-10-24)22-29-13-15-31(16-14-29)37(33,34)25-11-12-26-27(19-25)36-18-17-35-26/h1-12,19H,13-18,20-22H2/p+1