dimethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]azanium

Systemtic Name: dimethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]azanium Openeye Name: dimethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]ammonium CAS Name: dimethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-phenyl-4-piperidin-1-iumyl]ammonium IUPAC Name: dimethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl]azanium Traditional Name: dimethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-13-12-18(5)14(2)11-16(13,17(3)4)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3/p+2/t13-,14-,16-/m0/s1