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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H22N2O4S/c22-26(23,17-6-7-18-19(14-17)25-13-12-24-18)21-10-8-20(9-11-21)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2/p+1