3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[4-(1-piperidin-1-iumylmethyl)phenyl]benzamide IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Formula: C25H30BrN4O+ MolecularWeight: 482.4359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCCC4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCCC4)C)Br

InChI

InChI=1S/C25H29BrN4O/c1-18-24(26)19(2)30(28-18)17-21-7-6-8-22(15-21)25(31)27-23-11-9-20(10-12-23)16-29-13-4-3-5-14-29/h6-12,15H,3-5,13-14,16-17H2,1-2H3,(H,27,31)/p+1