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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium Traditional Name: 1-besyl-4-piperonyl-piperazin-4-ium Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c21-25(22,16-4-2-1-3-5-16)20-10-8-19(9-11-20)13-15-6-7-17-18(12-15)24-14-23-17/h1-7,12H,8-11,13-14H2/p+1