[(3R,5R,6R)-6-azaniumyl-1-methoxy-5-oxidanyl-1-oxidanylidene-heptan-3-yl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [(3R,5R,6R)-6-azaniumyl-1-methoxy-5-oxidanyl-1-oxidanylidene-heptan-3-yl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(1R,3R,4R)-4-azaniumyl-3-hydroxy-1-(2-methoxy-2-oxo-ethyl)pentyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [(3R,5R,6R)-6-ammonio-5-hydroxy-1-methoxy-1-oxoheptan-3-yl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(3R,5R,6R)-6-azaniumyl-5-hydroxy-1-methoxy-1-oxoheptan-3-yl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(1R,3R,4R)-4-ammonio-3-hydroxy-1-(2-keto-2-methoxy-ethyl)pentyl]-[(1R)-1-phenylethyl]ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]C(CC(C(C)[NH3+])O)CC(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+][C@H](C[C@H]([C@@H](C)[NH3+])O)CC(=O)OC

InChI

InChI=1S/C16H26N2O3/c1-11(17)15(19)9-14(10-16(20)21-3)18-12(2)13-7-5-4-6-8-13/h4-8,11-12,14-15,18-19H,9-10,17H2,1-3H3/p+2/t11-,12-,14-,15-/m1/s1