N-[(Z)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(Z)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[(Z)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[(Z)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[(Z)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C23H26N5O+ MolecularWeight: 388.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O/c1-18-9-11-19(12-10-18)23-20(16-28(26-23)21-7-3-2-4-8-21)15-24-25-22(29)17-27-13-5-6-14-27/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,25,29)/p+1/b24-15-