[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [(1S)-isochroman-1-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [(1S)-isochroman-1-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH2+]CCC[NH+]3CCOCC3

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)C[NH2+]CCC[NH+]3CCOCC3

InChI

InChI=1S/C17H26N2O2/c1-2-5-16-15(4-1)6-11-21-17(16)14-18-7-3-8-19-9-12-20-13-10-19/h1-2,4-5,17-18H,3,6-14H2/p+2/t17-/m1/s1