1-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-[6-(4-ethylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]-4-phenyl-butan-1-one Formula: C24H35N6O+ MolecularWeight: 423.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H34N6O/c1-2-27-13-15-28(16-14-27)22-11-12-23(26-25-22)29-17-19-30(20-18-29)24(31)10-6-9-21-7-4-3-5-8-21/h3-5,7-8,11-12H,2,6,9-10,13-20H2,1H3/p+1