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

Systemtic Name: (6S)-1-(2-methylpropyl)-4-[(2S)-1-oxidanylpropan-2-yl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-benzyloxy-4-[(1S)-2-hydroxy-1-methyl-ethyl]-1-isobutyl-1,4-diazepan-4-ium-2-one CAS Name: (6S)-4-[(2S)-1-hydroxypropan-2-yl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-4-[(2S)-1-hydroxypropan-2-yl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-benzoxy-4-[(1S)-2-hydroxy-1-methyl-ethyl]-1-isobutyl-1,4-diazepan-4-ium-2-one Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(C[NH+](CC1=O)C(C)CO)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CO)[NH+]1C[C@H](CN(C(=O)C1)CC(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C19H30N2O3/c1-15(2)9-21-11-18(24-14-17-7-5-4-6-8-17)10-20(12-19(21)23)16(3)13-22/h4-8,15-16,18,22H,9-14H2,1-3H3/p+1/t16-,18+/m0/s1