2-[(2R,4R,5R)-1,2,5-trimethyl-4-(phenylmethyl)piperidin-1-ium-4-yl]ethylazanium

Systemtic Name: 2-[(2R,4R,5R)-1,2,5-trimethyl-4-(phenylmethyl)piperidin-1-ium-4-yl]ethylazanium Openeye Name: 2-[(2R,4R,5R)-4-benzyl-1,2,5-trimethyl-piperidin-1-ium-4-yl]ethylammonium CAS Name: 2-[(2R,4R,5R)-1,2,5-trimethyl-4-(phenylmethyl)-4-piperidin-1-iumyl]ethylammonium IUPAC Name: 2-[(2R,4R,5R)-4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-yl]ethylazanium Traditional Name: 2-[(2R,4R,5R)-4-benzyl-1,2,5-trimethyl-piperidin-1-ium-4-yl]ethylammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(CC[NH3+])CC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C[C@]([C@H](C[NH+]1C)C)(CC[NH3+])CC2=CC=CC=C2

InChI

InChI=1S/C17H28N2/c1-14-13-19(3)15(2)11-17(14,9-10-18)12-16-7-5-4-6-8-16/h4-8,14-15H,9-13,18H2,1-3H3/p+2/t14-,15+,17+/m0/s1