(6R)-1-cyclohexyl-4-[(3,4-dimethylphenyl)methyl]-6-oxidanyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[(3,4-dimethylphenyl)methyl]-6-oxidanyl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(3,4-dimethylphenyl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(3,4-dimethylphenyl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(3,4-dimethylphenyl)methyl]-6-hydroxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-(3,4-dimethylbenzyl)-6-hydroxy-1,4-diazepan-4-ium-2-one Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)O)C

InChI

InChI=1S/C20H30N2O2/c1-15-8-9-17(10-16(15)2)11-21-12-19(23)13-22(20(24)14-21)18-6-4-3-5-7-18/h8-10,18-19,23H,3-7,11-14H2,1-2H3/p+1/t19-/m0/s1