(6R)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(1-propan-2-ylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(1-propan-2-ylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-[(4-fluorophenyl)methoxy]-1-isopropyl-4-(1-isopropylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(1-propan-2-yl-4-piperidin-1-iumyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-(1-propan-2-ylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(4-fluorobenzyl)oxy-1-isopropyl-4-(1-isopropylpiperidin-1-ium-4-yl)-1,4-diazepan-4-ium-2-one Formula: C23H38FN3O2+2 MolecularWeight: 407.565123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CC(CN(C(=O)C2)C(C)C)OCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2C[C@@H](CN(C(=O)C2)C(C)C)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H36FN3O2/c1-17(2)25-11-9-21(10-12-25)26-13-22(14-27(18(3)4)23(28)15-26)29-16-19-5-7-20(24)8-6-19/h5-8,17-18,21-22H,9-16H2,1-4H3/p+2/t22-/m0/s1