N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C20H28BrN4O4+ MolecularWeight: 468.36472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H27BrN4O4/c21-15-11-17-18(29-10-9-28-17)12-16(15)22-19(26)13-23-5-7-24(8-6-23)14-20(27)25-3-1-2-4-25/h11-12H,1-10,13-14H2,(H,22,26)/p+1