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

Systemtic Name: (6R)-6-methoxy-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-6-methoxy-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-methoxy-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-6-methoxy-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-6-methoxy-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-4-ium-2-one Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1)C[NH+]2CC(CN(C(=O)C2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CN=C(N1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C18H24N4O2/c1-14-8-19-17(20-14)12-21-10-16(24-2)11-22(18(23)13-21)9-15-6-4-3-5-7-15/h3-8,16H,9-13H2,1-2H3,(H,19,20)/p+1/t16-/m0/s1