1-benzofuran-2-ylmethyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: benzofuran-2-ylmethyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: 2-benzofuranylmethyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: benzofuran-2-ylmethyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C18H28N2O+2 MolecularWeight: 288.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC3=CC=CC=C3O2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H26N2O/c1-15-7-4-5-11-20(15)12-6-10-19-14-17-13-16-8-2-3-9-18(16)21-17/h2-3,8-9,13,15,19H,4-7,10-12,14H2,1H3/p+2/t15-/m0/s1