1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-propyl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-propyl-pyrazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-2-9-24-23(18-26-29(24)22-12-7-4-8-13-22)25(30)27-21-14-16-28(17-15-21)19-20-10-5-3-6-11-20/h3-8,10-13,18,21H,2,9,14-17,19H2,1H3,(H,27,30)/p+1