(2R)-1-(1H-indol-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(1H-indol-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(1H-indol-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-(1H-indol-2-ylmethyl)-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-(1H-indol-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(1H-indol-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C24H25N5O/c30-24(27-19-9-11-21(12-10-19)29-15-5-13-25-29)23-8-3-4-14-28(23)17-20-16-18-6-1-2-7-22(18)26-20/h1-2,5-7,9-13,15-16,23,26H,3-4,8,14,17H2,(H,27,30)/p+1/t23-/m1/s1