2-(2-phenylmethoxyethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-(2-phenylmethoxyethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-(2-benzyloxyethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-(2-phenylmethoxyethyl)-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(2-phenylmethoxyethyl)-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-(2-benzoxyethyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CCOCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c22-17-12-16(20-8-6-18-7-9-20)13-19-21(17)10-11-23-14-15-4-2-1-3-5-15/h1-5,12-13,18H,6-11,14H2/p+1