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

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methyl-(4-morpholin-4-ium-4-ylbutyl)azanium Openeye Name: [(3S)-8-methoxychroman-3-yl]-methyl-(4-morpholin-4-ium-4-ylbutyl)ammonium CAS Name: [(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-methyl-[4-(4-morpholin-4-iumyl)butyl]ammonium IUPAC Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-methyl-(4-morpholin-4-ium-4-ylbutyl)azanium Traditional Name: [(3S)-8-methoxychroman-3-yl]-methyl-(4-morpholin-4-ium-4-ylbutyl)ammonium Formula: C19H32N2O3+2 MolecularWeight: 336.46898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3/c1-20(8-3-4-9-21-10-12-23-13-11-21)17-14-16-6-5-7-18(22-2)19(16)24-15-17/h5-7,17H,3-4,8-15H2,1-2H3/p+2/t17-/m0/s1