(6R)-4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-6-methoxy-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-methoxy-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-methoxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-6-methoxy-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-methoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-6-methoxy-1,4-diazepan-4-ium-2-one Formula: C25H31N4O3+ MolecularWeight: 435.53864

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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)OC

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)OC

InChI

InChI=1S/C25H30N4O3/c1-19-23(25(31)29(26(19)2)21-12-8-5-9-13-21)17-27-15-22(32-3)16-28(24(30)18-27)14-20-10-6-4-7-11-20/h4-13,22H,14-18H2,1-3H3/p+1/t22-/m0/s1