N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1H-imidazole-5-carboxamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-imidazole-5-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CN=CN3

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CN=CN3

InChI

InChI=1S/C21H30N4O2/c1-3-25(21(26)20-13-22-16-23-20)15-18-7-5-10-24(14-18)11-9-17-6-4-8-19(12-17)27-2/h4,6,8,12-13,16,18H,3,5,7,9-11,14-15H2,1-2H3,(H,22,23)/p+1/t18-/m0/s1