4-(pyrazol-1-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-(pyrazol-1-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-(pyrazol-1-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-(1-pyrazolylmethyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-(pyrazol-1-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-(pyrazol-1-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)CN3C=CC=N3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)CN3C=CC=N3)C

InChI

InChI=1S/C20H28N4O/c1-19(2)12-17(13-20(3,4)23-19)22-18(25)16-8-6-15(7-9-16)14-24-11-5-10-21-24/h5-11,17,23H,12-14H2,1-4H3,(H,22,25)/p+1