[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH+]1CCOCC1)C2CC3=C(C(=CC=C3)OC)OC2

Isomeric SMILES

C[NH+](CCC[NH+]1CCOCC1)[C@H]2CC3=C(C(=CC=C3)OC)OC2

InChI

InChI=1S/C18H28N2O3/c1-19(7-4-8-20-9-11-22-12-10-20)16-13-15-5-3-6-17(21-2)18(15)23-14-16/h3,5-6,16H,4,7-14H2,1-2H3/p+2/t16-/m0/s1