N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c29-24(11-10-20-16-26-28(18-20)23-8-2-1-3-9-23)25-17-21-6-4-5-7-22(21)19-27-12-14-30-15-13-27/h1-9,16,18H,10-15,17,19H2,(H,25,29)/p+1