(6R)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-isobutyl-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-isobutyl-1,4-diazepan-4-ium-2-one Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2C[C@@H](CN(C(=O)C2)CC(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4O2/c1-5-27-13-21(19(4)24-27)12-25-14-22(29-17-20-9-7-6-8-10-20)15-26(11-18(2)3)23(28)16-25/h6-10,13,18,22H,5,11-12,14-17H2,1-4H3/p+1/t22-/m0/s1