[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(C[NH3+])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC3=C(C=C2)OCO3

InChI

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