N-cyclopropyl-2-[4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prolyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O6S+ MolecularWeight: 479.56974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

InChI

InChI=1S/C22H30N4O6S/c27-21(23-16-3-4-16)15-24-8-10-25(11-9-24)22(28)18-2-1-7-26(18)33(29,30)17-5-6-19-20(14-17)32-13-12-31-19/h5-6,14,16,18H,1-4,7-13,15H2,(H,23,27)/p+1/t18-/m1/s1