[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-[(1S)-1-pyridin-3-ylethyl]azanium

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-[(1S)-1-pyridin-3-ylethyl]azanium Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[(1S)-1-(3-pyridyl)ethyl]ammonium CAS Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-[(1S)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-[(1S)-1-pyridin-3-ylethyl]azanium Traditional Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-[(1S)-1-(3-pyridyl)ethyl]ammonium Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]C(C)C2=CN=CC=C2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+][C@@H](C)C2=CN=CC=C2)C(C)C

InChI

InChI=1S/C17H28N2/c1-12(2)16-8-7-13(3)10-17(16)19-14(4)15-6-5-9-18-11-15/h5-6,9,11-14,16-17,19H,7-8,10H2,1-4H3/p+1/t13-,14-,16+,17-/m0/s1