phenethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium

Systemtic Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Openeye Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]ammonium CAS Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethyl-4-piperidin-1-iumyl]ammonium IUPAC Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium Traditional Name: phenethyl-[(2S,4S,5S)-1,2,5-trimethylpiperidin-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)[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](C[NH+]1C)C)[NH2+]CCC2=CC=CC=C2

InChI

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