N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C28H30N5O2+ MolecularWeight: 468.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c34-28(30-26(23-10-5-2-6-11-23)21-32-14-16-35-17-15-32)25-20-33(19-22-8-3-1-4-9-22)31-27(25)24-12-7-13-29-18-24/h1-13,18,20,26H,14-17,19,21H2,(H,30,34)/p+1/t26-/m1/s1