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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=CC=CC=C5N4

InChI

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