(6R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-6-hydroxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CC(CN(C(=O)C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H24N4O2/c1-14-16(8-19-20(14)2)10-21-11-17(23)12-22(18(24)13-21)9-15-6-4-3-5-7-15/h3-8,17,23H,9-13H2,1-2H3/p+1/t17-/m0/s1