3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azanium Openeye Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: [(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: [(3R)-6-hydroxycoumaran-3-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]C2COC3=C2C=CC(=C3)O

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+][C@H]2COC3=C2C=CC(=C3)O

InChI

InChI=1S/C17H26N2O2/c1-13-5-9-19(10-6-13)8-2-7-18-16-12-21-17-11-14(20)3-4-15(16)17/h3-4,11,13,16,18,20H,2,5-10,12H2,1H3/p+2/t16-/m0/s1