(6R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H34N4O3/c1-19-22(13-26(2)25-19)14-27-15-23(31-18-21-6-4-3-5-7-21)16-28(24(29)17-27)12-20-8-10-30-11-9-20/h3-7,13,20,23H,8-12,14-18H2,1-2H3/p+1/t23-/m0/s1