(6R)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(2-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(3-methoxyphenyl)methoxy]-1-phenethyl-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-m-anisyloxy-1-phenethyl-4-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2C[NH+](CC(=O)N(C2)CCC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)CO[C@H]2C[NH+](CC(=O)N(C2)CCC3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C27H31N3O3/c1-32-25-12-7-10-23(16-25)21-33-26-18-29(17-24-11-5-6-14-28-24)20-27(31)30(19-26)15-13-22-8-3-2-4-9-22/h2-12,14,16,26H,13,15,17-21H2,1H3/p+1/t26-/m0/s1