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

Systemtic Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-(1-azocan-1-iumyl)-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-(azocan-1-ium-1-yl)-1-phenyl-butyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-2-16(17(18)15-11-7-6-8-12-15)19-13-9-4-3-5-10-14-19/h6-8,11-12,16-17H,2-5,9-10,13-14,18H2,1H3/p+2/t16-,17-/m1/s1