1-(isoquinolin-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(isoquinolin-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(5-isoquinolylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(5-isoquinolinylmethyl)-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(isoquinolin-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-isoquinolylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H25N5O/c31-25(28-22-5-7-23(8-6-22)30-14-2-12-27-30)19-10-15-29(16-11-19)18-21-4-1-3-20-17-26-13-9-24(20)21/h1-9,12-14,17,19H,10-11,15-16,18H2,(H,28,31)/p+1