5-(furan-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 5-(furan-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(m-tolyl)pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-2-(3-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(m-tolyl)pyrazole-3-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O3/c1-16-4-2-5-17(14-16)25-19(15-18(23-25)20-6-3-11-28-20)21(26)22-7-8-24-9-12-27-13-10-24/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,22,26)/p+1