3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(3S)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: [(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: [(3S)-6-hydroxycoumaran-3-yl]-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C17H26N2O2/c1-13-5-2-3-9-19(13)10-4-8-18-16-12-21-17-11-14(20)6-7-15(16)17/h6-7,11,13,16,18,20H,2-5,8-10,12H2,1H3/p+2/t13-,16+/m0/s1