[(2S)-1-(azocan-1-ium-1-yl)-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(azocan-1-ium-1-yl)-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-(azocan-1-ium-1-ylmethyl)-2-phenyl-ethyl]ammonium CAS Name: [(2S)-1-(1-azocan-1-iumyl)-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(azocan-1-ium-1-yl)-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-(azocan-1-ium-1-ylmethyl)-2-phenyl-ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H26N2/c17-16(13-15-9-5-4-6-10-15)14-18-11-7-2-1-3-8-12-18/h4-6,9-10,16H,1-3,7-8,11-14,17H2/p+2/t16-/m0/s1