[(2R)-2-(4-ethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH3+])[NH+]2CCCCC2C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C[NH3+])[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)16(12-17)18-11-5-4-6-13(18)2/h7-10,13,16H,3-6,11-12,17H2,1-2H3/p+2/t13-,16-/m0/s1