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

Systemtic Name: (6R)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-hydroxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CC(CN(C(=O)C2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H26N4O2/c1-3-18-20-14(2)17(21-18)12-22-10-16(24)11-23(19(25)13-22)9-15-7-5-4-6-8-15/h4-8,16,24H,3,9-13H2,1-2H3,(H,20,21)/p+1/t16-/m0/s1