N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C27H29N4O2S+ MolecularWeight: 473.60976

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S/c32-27(28-17-22-9-4-5-10-23(22)19-30-12-14-33-15-13-30)24-20-31(18-21-7-2-1-3-8-21)29-26(24)25-11-6-16-34-25/h1-11,16,20H,12-15,17-19H2,(H,28,32)/p+1