3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 3-(4-ethylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(4-ethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-2-20-8-10-22(11-9-20)24-23(19-29(27-24)18-21-6-4-3-5-7-21)25(30)26-12-13-28-14-16-31-17-15-28/h3-11,19H,2,12-18H2,1H3,(H,26,30)/p+1