[(2R)-2-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(2,4-dimethylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(2,4-dimethylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C[NH3+])C2=C(C=C(C=C2)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C16H26N2/c1-12-6-7-15(14(3)9-12)16(10-17)18-8-4-5-13(2)11-18/h6-7,9,13,16H,4-5,8,10-11,17H2,1-3H3/p+2/t13-,16-/m0/s1