(6R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-methoxy-1-p-anisyl-4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CC=C(C=C2)OC)CC3=CC=NN3

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CC=C(C=C2)OC)CC3=CC=NN3

InChI

InChI=1S/C18H24N4O3/c1-24-16-5-3-14(4-6-16)9-22-12-17(25-2)11-21(13-18(22)23)10-15-7-8-19-20-15/h3-8,17H,9-13H2,1-2H3,(H,19,20)/p+1/t17-/m0/s1