2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H21ClN5O+ MolecularWeight: 358.84524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C18H20ClN5O/c1-13-14(2)21-24(18(25)17(13)11-20)12-22-6-8-23(9-7-22)16-5-3-4-15(19)10-16/h3-5,10H,6-9,12H2,1-2H3/p+1