4-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: N,N-dimethyl-4-piperonyl-piperazin-4-ium-1-sulfonamide Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H21N3O4S/c1-15(2)22(18,19)17-7-5-16(6-8-17)10-12-3-4-13-14(9-12)21-11-20-13/h3-4,9H,5-8,10-11H2,1-2H3/p+1