(2S,4S,5R)-1,2,5-trimethyl-N-phenethyl-piperidin-1-ium-4-amine

Systemtic Name: (2S,4S,5R)-1,2,5-trimethyl-N-phenethyl-piperidin-1-ium-4-amine Openeye Name: (2S,4S,5R)-1,2,5-trimethyl-N-phenethyl-piperidin-1-ium-4-amine CAS Name: (2S,4S,5R)-1,2,5-trimethyl-N-phenethyl-4-piperidin-1-iumamine IUPAC Name: (2S,4S,5R)-1,2,5-trimethyl-N-phenethylpiperidin-1-ium-4-amine Traditional Name: phenethyl-[(2S,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)NCCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H](C[NH+]1C)C)NCCC2=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+1/t13-,14+,16+/m1/s1