(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azanium

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-(2-oxo-2-pyrrolidin-1-yl-ethyl)ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-[2-oxo-2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methyl-(2-oxo-2-pyrrolidin-1-ylethyl)azanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-(2-keto-2-pyrrolidino-ethyl)-methyl-ammonium Formula: C16H22BrN2O3+ MolecularWeight: 370.26148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1Br)OCCO2)CC(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1Br)OCCO2)CC(=O)N3CCCC3

InChI

InChI=1S/C16H21BrN2O3/c1-18(11-16(20)19-4-2-3-5-19)10-12-8-14-15(9-13(12)17)22-7-6-21-14/h8-9H,2-7,10-11H2,1H3/p+1