(6R)-6-oxidanyl-1-(phenylmethyl)-4-(3-phenylpropyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-oxidanyl-1-(phenylmethyl)-4-(3-phenylpropyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-6-hydroxy-4-(3-phenylpropyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-hydroxy-1-(phenylmethyl)-4-(3-phenylpropyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-6-hydroxy-4-(3-phenylpropyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-6-hydroxy-4-(3-phenylpropyl)-1,4-diazepan-4-ium-2-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)C[NH+]1CCCC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

C1[C@@H](CN(C(=O)C[NH+]1CCCC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H26N2O2/c24-20-15-22(13-7-12-18-8-3-1-4-9-18)17-21(25)23(16-20)14-19-10-5-2-6-11-19/h1-6,8-11,20,24H,7,12-17H2/p+1/t20-/m0/s1