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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[NH3+])[NH+]2CCCCC2C

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-3-15(18-12-8-7-9-13(18)2)16(17)14-10-5-4-6-11-14/h4-6,10-11,13,15-16H,3,7-9,12,17H2,1-2H3/p+2/t13-,15+,16+/m0/s1