(6S)-4-[(2R)-2,3-bis(oxidanyl)propyl]-1-cyclohexyl-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-4-[(2R)-2,3-bis(oxidanyl)propyl]-1-cyclohexyl-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-benzyloxy-1-cyclohexyl-4-[(2R)-2,3-dihydroxypropyl]-1,4-diazepan-4-ium-2-one CAS Name: (6S)-1-cyclohexyl-4-[(2R)-2,3-dihydroxypropyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-1-cyclohexyl-4-[(2R)-2,3-dihydroxypropyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-benzoxy-1-cyclohexyl-4-[(2R)-2,3-dihydroxypropyl]-1,4-diazepan-4-ium-2-one Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC(CO)O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C[C@@H](C[NH+](CC2=O)C[C@H](CO)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O4/c24-15-19(25)11-22-12-20(27-16-17-7-3-1-4-8-17)13-23(21(26)14-22)18-9-5-2-6-10-18/h1,3-4,7-8,18-20,24-25H,2,5-6,9-16H2/p+1/t19-,20-/m1/s1