N-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(2-pyridylmethyl)benzamide CAS Name: N-[[3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methyl]-4-(1-pyrazolyl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-[[3-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-[3-(2-morpholin-4-ium-4-ylethoxy)benzyl]-4-pyrazol-1-yl-N-(2-pyridylmethyl)benzamide Formula: C29H32N5O3+ MolecularWeight: 498.59608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=CC=CC(=C2)CN(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1COCC[NH+]1CCOC2=CC=CC(=C2)CN(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C29H31N5O3/c35-29(25-8-10-27(11-9-25)34-14-4-13-31-34)33(23-26-6-1-2-12-30-26)22-24-5-3-7-28(21-24)37-20-17-32-15-18-36-19-16-32/h1-14,21H,15-20,22-23H2/p+1