(6R)-1-cyclohexyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-oxidanyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-oxidanyl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-4-ium-2-one Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CC(CN(C(=O)C3)C4CCCCC4)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3C[C@@H](CN(C(=O)C3)C4CCCCC4)O

InChI

InChI=1S/C20H28N2O5/c1-25-17-7-14(8-18-20(17)27-13-26-18)9-21-10-16(23)11-22(19(24)12-21)15-5-3-2-4-6-15/h7-8,15-16,23H,2-6,9-13H2,1H3/p+1/t16-/m0/s1