[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperazin-4-iumyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-ylethyl]-dimethylazanium Traditional Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN1CC[NH2+]CC1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C)[C@H](CN1CC[NH2+]CC1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H25N3O2/c1-18(2)14(12-19-7-5-17-6-8-19)13-3-4-15-16(11-13)21-10-9-20-15/h3-4,11,14,17H,5-10,12H2,1-2H3/p+2/t14-/m1/s1