(6S)-1-cyclohexyl-4-[(2R)-1-oxidanylpropan-2-yl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-1-cyclohexyl-4-[(2R)-1-oxidanylpropan-2-yl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-benzyloxy-1-cyclohexyl-4-[(1R)-2-hydroxy-1-methyl-ethyl]-1,4-diazepan-4-ium-2-one CAS Name: (6S)-1-cyclohexyl-4-[(2R)-1-hydroxypropan-2-yl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-1-cyclohexyl-4-[(2R)-1-hydroxypropan-2-yl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-benzoxy-1-cyclohexyl-4-[(1R)-2-hydroxy-1-methyl-ethyl]-1,4-diazepan-4-ium-2-one Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)[NH+]1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](CO)[NH+]1C[C@H](CN(C(=O)C1)C2CCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O3/c1-17(15-24)22-12-20(26-16-18-8-4-2-5-9-18)13-23(21(25)14-22)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,24H,3,6-7,10-16H2,1H3/p+1/t17-,20-/m1/s1