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

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H23N3O2/c1-17-4-6-18(7-5-17)13(11-16)12-2-3-14-15(10-12)20-9-8-19-14/h2-3,10,13H,4-9,11,16H2,1H3/p+2/t13-/m1/s1