N-[2-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-(2-methyl-4-pyrazol-1-yl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C21H27N6O+ MolecularWeight: 379.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C

InChI

InChI=1S/C21H26N6O/c1-16-14-20(26-11-3-9-22-26)5-4-18(16)15-25-12-7-19(8-13-25)27-21(6-10-23-27)24-17(2)28/h3-6,9-11,14,19H,7-8,12-13,15H2,1-2H3,(H,24,28)/p+1