(6R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(5-methyl-1H-imidazol-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:

CC1=C(N=CN1)C[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CN1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4O3/c1-18-22(25-17-24-18)14-26-12-21(30-16-20-5-3-2-4-6-20)13-27(23(28)15-26)11-19-7-9-29-10-8-19/h2-6,17,19,21H,7-16H2,1H3,(H,24,25)/p+1/t21-/m0/s1