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

Systemtic Name: [(2S)-2-(azocan-1-yl)-3-phenyl-propyl]azanium Openeye Name: [(2S)-2-(azocan-1-yl)-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-(1-azocanyl)-3-phenylpropyl]ammonium IUPAC Name: [(2S)-2-(azocan-1-yl)-3-phenylpropyl]azanium Traditional Name: [(2S)-2-(azocan-1-yl)-3-phenyl-propyl]ammonium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C1CCCN(CCC1)[C@@H](CC2=CC=CC=C2)C[NH3+]

InChI

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