[(2R)-2-(4-butoxy-3-methoxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(4-butoxy-3-methoxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-butoxy-3-methoxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(4-butoxy-3-methoxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-butoxy-3-methoxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(4-butoxy-3-methoxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C19H34N2O2+2 MolecularWeight: 322.48546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C[NH3+])[NH+]2CCCCC2C)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2/c1-4-5-12-23-18-10-9-16(13-19(18)22-3)17(14-20)21-11-7-6-8-15(21)2/h9-10,13,15,17H,4-8,11-12,14,20H2,1-3H3/p+2/t15-,17-/m0/s1