4-chloranyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-phenyl-pyridazin-3-one Formula: C19H26ClN4O+ MolecularWeight: 361.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H25ClN4O/c1-15-8-12-23(13-9-15)11-5-10-21-17-14-22-24(19(25)18(17)20)16-6-3-2-4-7-16/h2-4,6-7,14-15,21H,5,8-13H2,1H3/p+1