[(3S)-1-(1-benzofuran-2-ylcarbonyl)piperidin-3-yl]-[3-(dimethylazaniumyl)propyl]-methyl-azanium

Systemtic Name: [(3S)-1-(1-benzofuran-2-ylcarbonyl)piperidin-3-yl]-[3-(dimethylazaniumyl)propyl]-methyl-azanium Openeye Name: [(3S)-1-(benzofuran-2-carbonyl)-3-piperidyl]-[3-(dimethylammonio)propyl]-methyl-ammonium CAS Name: [(3S)-1-[2-benzofuranyl(oxo)methyl]-3-piperidinyl]-[3-(dimethylammonio)propyl]-methylammonium IUPAC Name: [(3S)-1-(1-benzofuran-2-carbonyl)piperidin-3-yl]-[3-(dimethylazaniumyl)propyl]-methylazanium Traditional Name: [(3S)-1-(benzofuran-2-carbonyl)-3-piperidyl]-[3-(dimethylammonio)propyl]-methyl-ammonium Formula: C20H31N3O2+2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](C)C1CCCN(C1)C(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C[NH+](C)CCC[NH+](C)[C@H]1CCCN(C1)C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H29N3O2/c1-21(2)11-7-12-22(3)17-9-6-13-23(15-17)20(24)19-14-16-8-4-5-10-18(16)25-19/h4-5,8,10,14,17H,6-7,9,11-13,15H2,1-3H3/p+2/t17-/m0/s1