[(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-(2-propan-2-yloxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-(2-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(2-isopropoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]-2-(2-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-(2-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(2-isopropoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C[NH3+])C2=CC=CC=C2OC(C)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC=CC=C2OC(C)C

InChI

InChI=1S/C17H28N2O/c1-13(2)20-17-9-5-4-8-15(17)16(11-18)19-10-6-7-14(3)12-19/h4-5,8-9,13-14,16H,6-7,10-12,18H2,1-3H3/p+2/t14-,16+/m1/s1