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

Systemtic Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-[(2S)-1-methoxypropan-2-yl]-1-phenethyl-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-4-[(1S)-2-methoxy-1-methyl-ethyl]-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-1,4-diazepan-4-ium-2-one CAS Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-[(2S)-1-methoxypropan-2-yl]-1-phenethyl-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-6-[(3-methoxyphenyl)methoxy]-4-[(2S)-1-methoxypropan-2-yl]-1-phenethyl-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-m-anisyloxy-4-[(1S)-2-methoxy-1-methyl-ethyl]-1-phenethyl-1,4-diazepan-4-ium-2-one Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-20(18-29-2)27-16-24(31-19-22-10-7-11-23(14-22)30-3)15-26(25(28)17-27)13-12-21-8-5-4-6-9-21/h4-11,14,20,24H,12-13,15-19H2,1-3H3/p+1/t20-,24-/m0/s1