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

Systemtic Name: (6R)-4-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(1-methylpyrazol-4-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(1-methyl-4-pyrazolyl)methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(1-methylpyrazol-4-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4O3/c1-25-12-21(11-24-25)13-26-15-22(30-18-20-5-3-2-4-6-20)16-27(23(28)17-26)14-19-7-9-29-10-8-19/h2-6,11-12,19,22H,7-10,13-18H2,1H3/p+1/t22-/m0/s1