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

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-2-5-19-6-8-20(9-7-19)15(13-18)14-3-4-16-17(12-14)22-11-10-21-16/h3-4,12,15H,2,5-11,13,18H2,1H3/p+2/t15-/m1/s1