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

Systemtic Name: 2-[(2S,4S,5R)-4-(4-methoxyphenyl)-1,2,5-trimethyl-piperidin-1-ium-4-yl]ethylazanium Openeye Name: 2-[(2S,4S,5R)-4-(4-methoxyphenyl)-1,2,5-trimethyl-piperidin-1-ium-4-yl]ethylammonium CAS Name: 2-[(2S,4S,5R)-4-(4-methoxyphenyl)-1,2,5-trimethyl-4-piperidin-1-iumyl]ethylammonium IUPAC Name: 2-[(2S,4S,5R)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-1-ium-4-yl]ethylazanium Traditional Name: 2-[(2S,4S,5R)-4-(4-methoxyphenyl)-1,2,5-trimethyl-piperidin-1-ium-4-yl]ethylammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-13-12-19(3)14(2)11-17(13,9-10-18)15-5-7-16(20-4)8-6-15/h5-8,13-14H,9-12,18H2,1-4H3/p+2/t13-,14-,17-/m0/s1