[3-[1-(2-ethylbutanoyl)piperidin-4-yl]oxyphenyl]methyl-(1H-imidazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [3-[1-(2-ethylbutanoyl)piperidin-4-yl]oxyphenyl]methyl-(1H-imidazol-2-ylmethyl)-methyl-azanium Openeye Name: [3-[[1-(2-ethylbutanoyl)-4-piperidyl]oxy]phenyl]methyl-(1H-imidazol-2-ylmethyl)-methyl-ammonium CAS Name: [3-[[1-(2-ethyl-1-oxobutyl)-4-piperidinyl]oxy]phenyl]methyl-(1H-imidazol-2-ylmethyl)-methylammonium IUPAC Name: [3-[1-(2-ethylbutanoyl)piperidin-4-yl]oxyphenyl]methyl-(1H-imidazol-2-ylmethyl)-methylazanium Traditional Name: [3-[[1-(2-ethylbutanoyl)-4-piperidyl]oxy]benzyl]-(1H-imidazol-2-ylmethyl)-methyl-ammonium Formula: C23H35N4O2+ MolecularWeight: 399.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=NC=CN3

Isomeric SMILES

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=NC=CN3

InChI

InChI=1S/C23H34N4O2/c1-4-19(5-2)23(28)27-13-9-20(10-14-27)29-21-8-6-7-18(15-21)16-26(3)17-22-24-11-12-25-22/h6-8,11-12,15,19-20H,4-5,9-10,13-14,16-17H2,1-3H3,(H,24,25)/p+1