(6R)-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-6-hydroxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-6-hydroxy-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,4-diazepan-4-ium-2-one Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CC(CN(C(=O)C3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3C[C@@H](CN(C(=O)C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H28N4O3/c1-18-22(24(31)28(25(18)2)20-11-7-4-8-12-20)16-26-14-21(29)15-27(23(30)17-26)13-19-9-5-3-6-10-19/h3-12,21,29H,13-17H2,1-2H3/p+1/t21-/m0/s1