N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(1H-imidazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C22H28N6O/c29-22(8-4-7-18-5-2-1-3-6-18)26-21-9-12-25-28(21)20-10-13-27(14-11-20)16-19-15-23-17-24-19/h1-3,5-6,9,12,15,17,20H,4,7-8,10-11,13-14,16H2,(H,23,24)(H,26,29)/p+1