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

Systemtic Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(4-isopropylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-p-cumenyl-ethyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-13(2)15-7-9-16(10-8-15)17(12-18)19-11-5-4-6-14(19)3/h7-10,13-14,17H,4-6,11-12,18H2,1-3H3/p+2/t14-,17-/m0/s1