N-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H20N3O5S+ MolecularWeight: 342.3907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H19N3O5S/c18-14(3-8-23(19,20)17-6-4-15-5-7-17)16-11-1-2-12-13(9-11)22-10-21-12/h1-2,9,15H,3-8,10H2,(H,16,18)/p+1