(6S)-4-[(2S)-1-methoxypropan-2-yl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-4-[(2S)-1-methoxypropan-2-yl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-benzyloxy-4-[(1S)-2-methoxy-1-methyl-ethyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6S)-4-[(2S)-1-methoxypropan-2-yl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-4-[(2S)-1-methoxypropan-2-yl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-benzoxy-4-[(1S)-2-methoxy-1-methyl-ethyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH+]1CC(CN(C(=O)C1)CC2CCOCC2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)[NH+]1C[C@H](CN(C(=O)C1)CC2CCOCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H34N2O4/c1-18(16-26-2)23-13-21(28-17-20-6-4-3-5-7-20)14-24(22(25)15-23)12-19-8-10-27-11-9-19/h3-7,18-19,21H,8-17H2,1-2H3/p+1/t18-,21+/m0/s1