(6R)-1-cyclohexyl-4-(oxan-4-yl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-(oxan-4-yl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-1-cyclohexyl-4-tetrahydropyran-4-yl-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-(4-oxanyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-(oxan-4-yl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-1-cyclohexyl-4-tetrahydropyran-4-yl-1,4-diazepan-4-ium-2-one Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)C3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)C3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H34N2O3/c26-23-17-24(20-11-13-27-14-12-20)15-22(28-18-19-7-3-1-4-8-19)16-25(23)21-9-5-2-6-10-21/h1,3-4,7-8,20-22H,2,5-6,9-18H2/p+1/t22-/m0/s1