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

Systemtic Name: [(2R)-2-(2-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(2-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(2-butoxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(2-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(2-butoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCC2C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C18H30N2O/c1-3-4-13-21-18-11-6-5-10-16(18)17(14-19)20-12-8-7-9-15(20)2/h5-6,10-11,15,17H,3-4,7-9,12-14,19H2,1-2H3/p+2/t15-,17-/m0/s1