[(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-propyl]azanium

Systemtic Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-propyl]azanium Openeye Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-propyl]ammonium CAS Name: [(1R,2R)-2-(1-azocan-1-iumyl)-1-phenylpropyl]ammonium IUPAC Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenylpropyl]azanium Traditional Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-propyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C16H26N2/c1-14(16(17)15-10-6-5-7-11-15)18-12-8-3-2-4-9-13-18/h5-7,10-11,14,16H,2-4,8-9,12-13,17H2,1H3/p+2/t14-,16+/m1/s1