[(1S)-1-(1-benzofuran-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(1-benzofuran-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(benzofuran-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(2-benzofuranyl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(1S)-1-(1-benzofuran-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(benzofuran-2-yl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C17H27N3O+2 MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC(C2=CC3=CC=CC=C3O2)[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C[C@@H](C2=CC3=CC=CC=C3O2)[NH3+]

InChI

InChI=1S/C17H25N3O/c1-2-7-19-8-10-20(11-9-19)13-15(18)17-12-14-5-3-4-6-16(14)21-17/h3-6,12,15H,2,7-11,13,18H2,1H3/p+2/t15-/m0/s1