diethyl-[(2S)-1-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[oxo-[6-oxo-1-(2-phenoxyethyl)-3-pyridazinyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[6-keto-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]ethyl]-diethyl-ammonium Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C26H32N4O3/c1-3-29(4-2)22(19-21-11-7-5-8-12-21)20-27-26(32)24-15-16-25(31)30(28-24)17-18-33-23-13-9-6-10-14-23/h5-16,22H,3-4,17-20H2,1-2H3,(H,27,32)/p+1/t22-/m0/s1