[(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)ethyl]azanium Openeye Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(p-tolyl)ethyl]ammonium CAS Name: [(2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-(4-methylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(4-methylphenyl)ethyl]azanium Traditional Name: [(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-(p-tolyl)ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C[NH3+])C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-3-15-6-4-5-11-18(15)16(12-17)14-9-7-13(2)8-10-14/h7-10,15-16H,3-6,11-12,17H2,1-2H3/p+2/t15-,16-/m0/s1