[5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: [5-(phenoxymethyl)-1H-pyrazol-3-yl]-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-22(21-14-19(24-25-21)17-29-20-7-2-1-3-8-20)27-11-5-10-26(12-13-27)16-18-6-4-9-23-15-18/h1-4,6-9,14-15H,5,10-13,16-17H2,(H,24,25)/p+1