1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-(2-chlorobenzyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C19H21ClN2O4S/c20-17-4-2-1-3-16(17)13-27(23,24)22-9-7-21(8-10-22)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11H,7-10,12-14H2/p+1