4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4)C

InChI

InChI=1S/C22H26N4O2/c1-16-14-17(2)26(24-16)19-9-7-18(8-10-19)22(27)23-15-20(21-6-5-13-28-21)25-11-3-4-12-25/h5-10,13-14,20H,3-4,11-12,15H2,1-2H3,(H,23,27)/p+1/t20-/m1/s1