1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-benzylsulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-benzylsulfonylpiperazin-1-ium Traditional Name: 1-benzylsulfonyl-4-piperonyl-piperazin-4-ium Formula: C19H23N2O4S+ MolecularWeight: 375.46192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

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