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

Systemtic Name: [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(4-isopropylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(2R)-2-[(3S)-3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-13(2)15-6-8-16(9-7-15)17(11-18)19-10-4-5-14(3)12-19/h6-9,13-14,17H,4-5,10-12,18H2,1-3H3/p+2/t14-,17-/m0/s1