(6R)-6-[(3-methoxyphenyl)methoxy]-4-[(2S)-1-oxidanylpropan-2-yl]-1-phenethyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3-methoxyphenyl)methoxy]-4-[(2S)-1-oxidanylpropan-2-yl]-1-phenethyl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(1S)-2-hydroxy-1-methyl-ethyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(2S)-1-hydroxypropan-2-yl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(2S)-1-hydroxypropan-2-yl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-[(1S)-2-hydroxy-1-methyl-ethyl]-6-m-anisyloxy-1-phenethyl-1,4-diazepan-4-ium-2-one Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)[NH+]1CC(CN(C(=O)C1)CCC2=CC=CC=C2)OCC3=CC(=CC=C3)OC

Isomeric SMILES

C[C@@H](CO)[NH+]1C[C@@H](CN(C(=O)C1)CCC2=CC=CC=C2)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H32N2O4/c1-19(17-27)26-15-23(30-18-21-9-6-10-22(13-21)29-2)14-25(24(28)16-26)12-11-20-7-4-3-5-8-20/h3-10,13,19,23,27H,11-12,14-18H2,1-2H3/p+1/t19-,23+/m0/s1