3-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[2-(1-naphthyloxy)ethyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[2-(1-naphthalenyloxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[2-(1-naphthoxy)ethyl]piperazin-4-ium-1-carbonyl]-1H-pyridazin-6-one Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC3=CC=CC=C32)C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC3=CC=CC=C32)C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C21H22N4O3/c26-20-9-8-18(22-23-20)21(27)25-12-10-24(11-13-25)14-15-28-19-7-3-5-16-4-1-2-6-17(16)19/h1-9H,10-15H2,(H,23,26)/p+1