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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-phenethyl-piperidin-1-ium-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O/c1-19-18-20(2)29(27-19)24-10-8-23(9-11-24)26-25(30)22-13-16-28(17-14-22)15-12-21-6-4-3-5-7-21/h3-11,18,22H,12-17H2,1-2H3,(H,26,30)/p+1