diethyl-[(4S)-4-[[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azaniumyl]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[(3R)-6-oxidanyl-2,3-dihydro-1-benzofuran-3-yl]azaniumyl]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonio]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]ammonio]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[(3R)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]azaniumyl]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[(3R)-6-hydroxycoumaran-3-yl]ammonio]pentyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]C1COC2=C1C=CC(=C2)O

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1COC2=C1C=CC(=C2)O

InChI

InChI=1S/C17H28N2O2/c1-4-19(5-2)10-6-7-13(3)18-16-12-21-17-11-14(20)8-9-15(16)17/h8-9,11,13,16,18,20H,4-7,10,12H2,1-3H3/p+2/t13-,16-/m0/s1