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

Systemtic Name: (6R)-4-cyclopentyl-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-cyclopentyl-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-cyclopentyl-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-cyclopentyl-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-cyclopentyl-6-m-anisyloxy-1-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2C[NH+](CC(=O)N(C2)CC3=CC=CC=N3)C4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CO[C@H]2C[NH+](CC(=O)N(C2)CC3=CC=CC=N3)C4CCCC4

InChI

InChI=1S/C24H31N3O3/c1-29-22-11-6-7-19(13-22)18-30-23-15-26(21-9-2-3-10-21)17-24(28)27(16-23)14-20-8-4-5-12-25-20/h4-8,11-13,21,23H,2-3,9-10,14-18H2,1H3/p+1/t23-/m0/s1