(6R)-1-cyclohexyl-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-1-cyclohexyl-4-[[5-(hydroxymethyl)-2-furyl]methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[[5-(hydroxymethyl)-2-furanyl]methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-1-cyclohexyl-4-[(5-methylol-2-furyl)methyl]-1,4-diazepan-4-ium-2-one Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=CC=C(O3)CO)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=CC=C(O3)CO)OCC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O4/c27-17-22-12-11-21(30-22)13-25-14-23(29-18-19-7-3-1-4-8-19)15-26(24(28)16-25)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20,23,27H,2,5-6,9-10,13-18H2/p+1/t23-/m0/s1