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

Systemtic Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-oxanylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-4-ium-2-one Formula: C26H39N4O3+ MolecularWeight: 455.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H38N4O3/c1-2-3-9-25-27-14-23(28-25)16-29-17-24(33-20-22-7-5-4-6-8-22)18-30(26(31)19-29)15-21-10-12-32-13-11-21/h4-8,14,21,24H,2-3,9-13,15-20H2,1H3,(H,27,28)/p+1/t24-/m0/s1