(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(1H-imidazol-5-ylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-2-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCC[NH+]3CC4=CN=CN4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[NH+]3CC4=CN=CN4)C

InChI

InChI=1S/C21H26N6O/c1-15-11-16(2)27(25-15)19-8-6-17(7-9-19)24-21(28)20-5-3-4-10-26(20)13-18-12-22-14-23-18/h6-9,11-12,14,20H,3-5,10,13H2,1-2H3,(H,22,23)(H,24,28)/p+1/t20-/m1/s1