[(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-4-phenyl-butyl]azanium

Systemtic Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-4-phenyl-butyl]azanium Openeye Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-4-phenyl-butyl]ammonium CAS Name: [(2R)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-4-phenylbutyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-4-phenylbutyl]azanium Traditional Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-4-phenyl-butyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(CCC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@H](CCC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C16H26N2/c1-14-7-5-6-12-18(14)16(13-17)11-10-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,17H2,1H3/p+2/t14-,16+/m0/s1