N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c28-23(22-15-25-27(18-22)16-19-6-2-1-3-7-19)24-14-20-8-4-5-9-21(20)17-26-10-12-29-13-11-26/h1-9,15,18H,10-14,16-17H2,(H,24,28)/p+1