N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-ethyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethylpiperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-piperidin-1-ium-4-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C19H26N4O/c1-4-22-11-9-16(10-12-22)19(24)20-17-5-7-18(8-6-17)23-15(3)13-14(2)21-23/h5-8,13,16H,4,9-12H2,1-3H3,(H,20,24)/p+1