(2R)-1-phenethyl-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-phenethyl-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-phenethyl-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-phenethyl-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-phenethyl-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-phenethyl-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-23(25-20-10-12-21(13-11-20)27-17-6-15-24-27)22-9-4-5-16-26(22)18-14-19-7-2-1-3-8-19/h1-3,6-8,10-13,15,17,22H,4-5,9,14,16,18H2,(H,25,28)/p+1/t22-/m1/s1