(6R)-4-[(2-methyl-1H-imidazol-5-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(2-methyl-1H-imidazol-5-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(2-methyl-1H-imidazol-5-yl)methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(2-methyl-1H-imidazol-5-yl)methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(N1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-18-25-11-21(26-18)13-27-14-22(30-17-19-6-3-2-4-7-19)15-28(23(29)16-27)12-20-8-5-9-24-10-20/h2-11,22H,12-17H2,1H3,(H,25,26)/p+1/t22-/m0/s1