6-[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[ethyl-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]carbamoyl]pyridazin-3-olate Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C22H30N4O2/c1-3-26(22(28)20-8-9-21(27)24-23-20)16-18-10-13-25(14-11-18)15-12-19-7-5-4-6-17(19)2/h4-9,18H,3,10-16H2,1-2H3,(H,24,27)