[(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenyl-butyl]azanium

Systemtic Name: [(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenyl-butyl]azanium Openeye Name: [(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenyl-butyl]ammonium CAS Name: [(1R,2R)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-phenylbutyl]ammonium IUPAC Name: [(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenylbutyl]azanium Traditional Name: [(1R,2R)-2-[(3S,5R)-3,5-dimethylpiperidin-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+]2CC(CC(C2)C)C

Isomeric SMILES

CC[C@H]([C@@H](C1=CC=CC=C1)[NH3+])[NH+]2C[C@@H](C[C@@H](C2)C)C

InChI

InChI=1S/C17H28N2/c1-4-16(17(18)15-8-6-5-7-9-15)19-11-13(2)10-14(3)12-19/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3/p+2/t13-,14+,16-,17-/m1/s1