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

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Formula: C21H23N2O4S2+ MolecularWeight: 431.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H22N2O4S2/c24-29(25,17-5-6-19-20(13-17)27-12-11-26-19)23-9-7-22(8-10-23)14-16-15-28-21-4-2-1-3-18(16)21/h1-6,13,15H,7-12,14H2/p+1