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

Systemtic Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(2-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(2-isopropoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-(2-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-(2-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(2-isopropoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC=CC=C2OC(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC=CC=C2OC(C)C

InChI

InChI=1S/C17H28N2O/c1-13(2)20-17-10-5-4-9-15(17)16(12-18)19-11-7-6-8-14(19)3/h4-5,9-10,13-14,16H,6-8,11-12,18H2,1-3H3/p+2/t14-,16-/m0/s1