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

Systemtic Name: (6R)-4-[(5-methylfuran-2-yl)methyl]-6-oxidanyl-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-6-hydroxy-4-[(5-methyl-2-furyl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-hydroxy-4-[(5-methyl-2-furanyl)methyl]-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-6-hydroxy-4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-6-hydroxy-4-[(5-methyl-2-furyl)methyl]-1,4-diazepan-4-ium-2-one Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CC(CN(C(=O)C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H22N2O3/c1-14-7-8-17(23-14)12-19-10-16(21)11-20(18(22)13-19)9-15-5-3-2-4-6-15/h2-8,16,21H,9-13H2,1H3/p+1/t16-/m0/s1