3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-phenylmethoxyphenyl)methyl]azanium

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-phenylmethoxyphenyl)methyl]azanium Openeye Name: (4-benzyloxyphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: 3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl-[(4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxybenzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C23H34N2O+2 MolecularWeight: 354.52886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3/p+2/t20-/m0/s1