N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-oxolan-2-yl]methanamine

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-oxolan-2-yl]methanamine Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-tetrahydrofuran-2-yl]methanamine CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazol-1-iumylidene]methyl]-1-[(2R)-2-oxolanyl]methanamine IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-oxolan-2-yl]methanamine Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C21H21ClN3O+ MolecularWeight: 366.86394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC=C2C=[N+](N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC=C2C=[N+](N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O/c22-18-10-8-16(9-11-18)21-17(13-23-14-20-7-4-12-26-20)15-25(24-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2/p+1/t20-/m1/s1